Mrv0541 02231214362D          

  9  8  0  0  0  0            999 V2000
   -3.1875    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    2.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296    1.3438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849    0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00331

> <DATABASE_NAME>
drugbank

> <SMILES>
CN(C)C(=N)NC(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)

> <INCHI_KEY>
XZWYZXLIPXDOLR-UHFFFAOYSA-N

> <FORMULA>
C4H11N5

> <MOLECULAR_WEIGHT>
129.1636

> <EXACT_MASS>
129.101445377

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.9994511804988848

> <JCHEM_AVERAGE_POLARIZABILITY>
13.427402057500638

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-carbamimidamido-N,N-dimethylmethanimidamide

> <ALOGPS_LOGP>
-1.83

> <JCHEM_LOGP>
-0.9184292649999999

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
12.325150598103365

> <JCHEM_POLAR_SURFACE_AREA>
88.99

> <JCHEM_REFRACTIVITY>
56.642700000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00331

> <SECONDARY_ACCESSION_NUMBERS>
APRD01099

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Metformin

> <SYNONYMS>
1,1-Dimethylbiguanide; Dimethylbiguanid; Metformin; Metformina; Metformine; Metforminum

> <PRODUCTS>
Acc-metformin; Ach-metformin; Actoplus Met; Actoplus Met XR; Ag-metformin; Alogliptin and Metformin Hydrochloride; Apo-dapagliflozin-metformin; Apo-metformin; Apo-metformin ER; Apo-sitagliptin-metformin; Apo-sitagliptin/metformin XR; Appformin; Appformin-D; Auro-dapagliflozin / Metformin; Auro-metformin; Ava-metformin; Avandamet; Bci Metformin; Bio-metformin; Competact; Compresso MF 95P; Dapagliflozin and Metformin Hydrochloride; Dm2; Dom-metformin; Ebymect; Ecl-metformin; Efficib; Eucreas; Fortamet; GLIPIZIDE and METFORMIN HYDROCHLORIDE; GlipiZIDE and Metformin Hydrochloride; Glipizide and Metformin HCl; Glipizide and Metformin Hydrochloride; Glipizide and metformin hcl; Glubrava; Glucophage; Glucophage XR; Glucovance; Glumetza; Glumetza (sb); Glyburide (micronized) and Metformin Hydrochloride; Glyburide Micronized and Metformin Hydrochloride; Glyburide and Metformin; Glyburide and Metformin Hydrochloride; Glyburide-Metformin Hydrochloride; Glyburide-metformin Hydrochloride; Glycon; Gpc-metformin XR; Icandra; Invokamet; Invokamet XR; Ipg-metformin; Jamp Metformin; Jamp-metformin Blackberry; Janumet; Janumet XR; Jentadueto; Jentadueto XR; Kazano; Kombiglyze XR; Komboglyze; METFORMIN Hydrochloride; Mar-metformin; Med Metformin Tablets 500mg; Metaglip; Metfomin Hydrochloride; Metformin; Metformin ER 500 mg; Metformin ER 750 mg; Metformin Fc; Metformin HCl; Metformin HCl ER; Metformin Hcl; Metformin Hydrochloride; Metformin Hydrochloride E/r; Metformin Hydrochloride ER; Metformin Hydrochloride Extended Release; Metformin Hydrochloride Extended-Release; Metformin Hydrochloride Extended-Release 500mg; Metformin Hydrochloride Oral Solution; Metformin Hydrochoride; Metformin Tablets; Metformin Tablets 500mg; Metformin hydrochloride; Metformin hydrochloride ER; Metformin-500 - Tab 500mg; Metformin-850; Metformin-Hcl; Mint-metformin; Mylan-metformin; Nra-metformin; Ntp-metformin; Orb-metformin; PHL-metformin; PMS-metformin; PMS-metformin - Tab 500mg; PMS-rosiglitazone-metformin; PMS-sitagliptin-metformin; Pg-metformin; Pioglitazole and metformin hydrochloride; Pioglitazone HCL and Metformin HCL; Pioglitazone Hydrochloride and Metformin Hydrochloride; Pioglitazone and Metformin Hydrochloride; Pioglitazone and Metformin Hydrocholride; Pioglitazone and metformin; Pmsc-metformin; Prandimet; Priva-metformin; Pro-metformin; Prz-metformin; Q-metformin; Qternmet XR; Ran-metformin; Ratio-metformin; Reddy-sitagliptin and Metformin Hydrochloride; Repaglinide and Metformin Hydrochloride; Rhoxal-metformin; Riomet; Riomet ER; Ristfor; Riva-metformin; Sandoz Metformin Fc; Sandoz Metformin XR; Sandoz Sitagliptin-metformin; Sandoz Sitagliptin-metformin XR; Saxagliptin and Metformin; Saxagliptin and Metformin Hydrochloride; Segluromet; Septa-metformin; Sitagliptin - Metformin; Sitagliptin Metformin Hydrochloride Mylan; Sitagliptin Phosphate/Metformin Hydrochloride; Sitagliptin and metformin hydrochloride; Sitagliptin-metformin; Sitagliptin/metfo Rmin Hydrochloride Mylan; Sitagliptin/metfor Min Hydrochloride Mylan; Sitagliptin/metformin Hydrochloride Accord; Sitagliptin/metformin Hydrochloride Sun; Synjardy; Synjardy XR; Teva-metformin; Trijardy XR; Van-metformin; Velmetia; Vildagliptin/metfo Rmin Hydrochloride Accord; Vildagliptin/metformin Hydrochloride Accord; Vipdomet; Vokanamet; Xigduo; Xigduo XR; Zituvimet; Zomarist

> <INTERNATIONAL_BRANDS>
Apo-Metformin; Gen-Metformin; Novo-Metformin; Nu-Metformin; Sandoz Metformin

> <SALTS>
Metformin hydrochloride

$$$$