808
  Mrv0541 02231215012D          

 24 26  0  0  1  0            999 V2000
    5.9484    2.7900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0504    1.5619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4742   -0.9608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802    2.3692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205    0.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -1.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159   -0.5169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8576    1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -2.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1661   -1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9232   -0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1795    0.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868    0.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2431    1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285    1.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6921    2.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848    1.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00808

> <DATABASE_NAME>
drugbank

> <SMILES>
CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)

> <INCHI_KEY>
NDDAHWYSQHTHNT-UHFFFAOYSA-N

> <FORMULA>
C16H16ClN3O3S

> <MOLECULAR_WEIGHT>
365.835

> <EXACT_MASS>
365.06008979

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.013860397781182652

> <JCHEM_AVERAGE_POLARIZABILITY>
36.33519124752692

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide

> <ALOGPS_LOGP>
2.52

> <JCHEM_LOGP>
2.6395443223333332

> <ALOGPS_LOGS>
-4.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.920148089013601

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.852541101945892

> <JCHEM_PKA_STRONGEST_BASIC>
0.09714572471287657

> <JCHEM_POLAR_SURFACE_AREA>
92.5

> <JCHEM_REFRACTIVITY>
103.3134

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.42e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00808

> <SECONDARY_ACCESSION_NUMBERS>
APRD01031

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Indapamide

> <SYNONYMS>
Indapamid; Indapamida; Indapamide; Indapamidum; Metindamide

> <PRODUCTS>
Apo-indapamide 1.25 Mg Tablets; Apo-indapamide 2.5mg Tablets; Apo-perindopril-indapamide; Arcosyl Plus; Arcosyl Plus Ld; Coversyl Plus; Coversyl Plus Hd; Coversyl Plus Ld; Dom-indapamide Tablets 1.25mg; Dom-indapamide Tablets 2.5mg; Indapamide; Indapamide Hemihydrate 1.25mg - Tab; Indapamide Hemihydrate Tab 2.5mg; Indapamide-2.5; Jamp-indapamide; Lozide; Lozol; Mylan-indapamide; Mylan-perindopril/indapamide; Ntp-indapamide; Nu-indapamide; Nu-indapamide - Tab 2.5mg; PHL-indapamide; PMS-indapamide; PMS-perindopril-indapamide; Perindopril Erbumine/ Indapamide; Perindopril Erbumine/ Indapamide Hd; Perindopril Erbumine/indapamide; Perindopril Erbumine/indapamide Hd; Perindopril Erbumine/indapamide Ld; Perindopril/indapamide; Pro-indapamide; Riva-indapamide 1.25; Riva-indapamide 2.5 mg; Sandoz Perindopril Erbumine/ Indapamide; Sandoz Perindopril Erbumine/ Indapamide Hd; Sandoz Perindopril Erbumine/ Indapamide Ld; Teva-indapamide; Teva-perindopril/indapamide

> <INTERNATIONAL_BRANDS>
Arifon; Bajaten; Fludex; Indamol; Ipamix; Natrilix; Natrix; Noranat; Tandix; Tertensif; Veroxil

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