Mrv1909 01292018442D          

 18 11  0  0  0  0            999 V2000
    2.8209    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338    0.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8209    1.4237    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.0314    1.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659    1.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -0.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8854   -0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1426   -1.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353   -0.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2464   -2.5898    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4126   -2.5898    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5876   -2.5898    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7538   -2.5898    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8752    2.5887    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    3.0414    2.5887    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    2.2164    2.5887    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  8   4  -1  12  -1  13  -1  14  -1  15  -1  16   3  17   3  18  -1
M  END
> <DATABASE_ID>
DB11205

> <DATABASE_NAME>
drugbank

> <SMILES>
[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-].NC(=O)NC1NC(=O)[N-]C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H6N4O3.2Al.ClH.4H2O/c5-3(10)6-1-2(9)8-4(11)7-1;;;;;;;/h1H,(H5,5,6,7,8,9,10,11);;;1H;4*1H2/q;2*+3;;;;;/p-6

> <INCHI_KEY>
IMZDRXBSGZPLDE-UHFFFAOYSA-H

> <FORMULA>
C4H9Al2ClN4O7

> <MOLECULAR_WEIGHT>
314.55

> <EXACT_MASS>
313.9790533

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.10112706741644004

> <JCHEM_AVERAGE_POLARIZABILITY>
12.544061478882465

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) 4-(carbamoylamino)-2,5-dioxoimidazolidin-1-ide chloride tetrahydroxide

> <ALOGPS_LOGP>
-1.37

> <JCHEM_LOGP>
-2.360540882

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.414199871379253

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.948848806915678

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3762243606061983

> <JCHEM_POLAR_SURFACE_AREA>
110.52

> <JCHEM_REFRACTIVITY>
31.222500000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.35e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fidaxomicin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11205

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Alcloxa

> <SYNONYMS>
Alcloxa; Alcloxum; Aluminium chlorohydroxyallantoinate; Aluminum chlorhydroxy allantoinate; Aluminum chlorohydroxy allantoinate; Chlorhydroxyaluminum allantoinate; Dialuminum tetrahydroxychloro allantoinate

> <PRODUCTS>
28tak Gum Care Tooth; Clean Breath Tooth; Divinetree Ssak Shark Kids Tooth; Dr.EL GUM CARE TOOTH; Dr.LORD Green Propol Tooth; Exoden Cavity; Exoden Cure Powder; Exoden Gum; Exoden White; Finefra Aid Tooth; Finefra Black Tooth; Finefra Kids Tooth; Finefra Tooth; Gray Salt; Gray Salt Tooth; Greensaltrain Tooth; Hae Yan Tooth; Hea YanToothpaste; HiMangChanToothpaste; LACSIAN new perfect all care tooth; LACSISN perfect all care; Medi Peel Herb Denti Clinic Toothpas Te; Medi Peel Herbpirin Salt Toothpas Te; MediF Tooth; Mitchum Anti Perspirant Crm Scented; Mitchum Antipersp Crm Unscented; Qforet Sharon Toothpaste; Rootsallo Toothpaste; Salt Tooth; Saltrain Tooth; Solmeet; Solmeet denti doctor; Toosty Mint Chocolate Toothpaste; Watkins Roll On Deodorant

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