Mrv1718001081909022D          

 28 29  0  0  0  0            999 V2000
    1.3043   -0.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -0.9317    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4285    0.2276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6003   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6293   -0.3105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3395   -1.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.6005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6003   -1.8426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1262   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1324    1.5113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6831    1.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -1.0144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527   -0.6005    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5527    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488    0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567    0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020   -0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488    1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7059   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527    1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113   -1.5114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2091    0.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  1  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  5  7  1  0  0  0  0
 12 17  1  0  0  0  0
  2 27  1  1  0  0  0
  5 28  1  1  0  0  0
M  END
> <DATABASE_ID>
DB00790

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1

> <INCHI_KEY>
IPVQLZZIHOAWMC-QXKUPLGCSA-N

> <FORMULA>
C19H32N2O5

> <MOLECULAR_WEIGHT>
368.4678

> <EXACT_MASS>
368.231122144

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
39.98696264366464

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid

> <ALOGPS_LOGP>
0.56

> <JCHEM_LOGP>
0.6307438391420584

> <ALOGPS_LOGS>
-2.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7860549560034094

> <JCHEM_PKA_STRONGEST_BASIC>
5.480288012911531

> <JCHEM_POLAR_SURFACE_AREA>
95.93999999999998

> <JCHEM_REFRACTIVITY>
95.69279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
perindopril

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00790

> <SECONDARY_ACCESSION_NUMBERS>
APRD01178

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Perindopril

> <SYNONYMS>
(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid; Perindopril; Perindoprilum

> <PRODUCTS>
Aceon; Ag-perindopril; Ag-perindopril Erbumine; Apo-perindopril; Apo-perindopril Arginine; Apo-perindopril Tablets; Apo-perindopril-indapamide; Apo-perindopril/amlodipine; Arcosyl; Arcosyl Plus; Arcosyl Plus Ld; Auro-perindopril; Bio-perindopril; Coversyl; Coversyl Plus; Coversyl Plus Hd; Coversyl Plus Ld; Jamp Perindopril; Jamp Perindopril Erbumine; M-perindopril Erbumine; Mar-perindopril; Mint-perindopril; Mylan-perindopril Arginine; Mylan-perindopril Erbumine; Mylan-perindopril/indapamide; Nra-perindopril; PMS-perindopril; PMS-perindopril-amlodipine; PMS-perindopril-indapamide; Perindopril Erbumine; Perindopril Erbumine/ Indapamide; Perindopril Erbumine/ Indapamide Hd; Perindopril Erbumine/indapamide; Perindopril Erbumine/indapamide Hd; Perindopril Erbumine/indapamide Ld; Perindopril/indapamide; Prestalia; Priva-perindopril Erbumine; Riva-perindopril; Sandoz Perindopril Erbumine; Sandoz Perindopril Erbumine/ Indapamide; Sandoz Perindopril Erbumine/ Indapamide Hd; Sandoz Perindopril Erbumine/ Indapamide Ld; Teva-perindopril; Teva-perindopril/indapamide; Viacoram

> <SALTS>
Perindopril arginine; Perindopril erbumine; Perindopril tosylate

$$$$