Mrv1909 11281918362D          

 32 34  0  0  0  0            999 V2000
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   -4.2517   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2517   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5372   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8228   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8228   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751   -1.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -1.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -0.6437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5579   -1.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4349    0.0379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8474    0.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6794    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1536    0.4120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9161    1.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1536    1.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4639   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 21  1  0  0  0  0
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 10 26  1  0  0  0  0
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 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
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 25 32  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00178

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1

> <INCHI_KEY>
HDACQVRGBOVJII-JBDAPHQKSA-N

> <FORMULA>
C23H32N2O5

> <MOLECULAR_WEIGHT>
416.5106

> <EXACT_MASS>
416.231122144

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
44.78767688316564

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

> <ALOGPS_LOGP>
0.92

> <JCHEM_LOGP>
1.4738114378387788

> <ALOGPS_LOGS>
-4.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7489298896886947

> <JCHEM_PKA_STRONGEST_BASIC>
5.203591906368744

> <JCHEM_POLAR_SURFACE_AREA>
95.93999999999998

> <JCHEM_REFRACTIVITY>
111.18680000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.90e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ramipril

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00178

> <SECONDARY_ACCESSION_NUMBERS>
APRD00009

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ramipril

> <SYNONYMS>
(2S-(1(R*(R*)),2alpha,3abeta,6abeta))-1-(2-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid; Ramipril; Ramiprilum

> <PRODUCTS>
Ach-ramipril; Act Ramipril; Ag-ramipril; Altace; Altace Cap 1.25mg; Altace Cap 10mg; Altace Cap 2.5mg; Altace Cap 5mg; Altace HCT; Altace Plus Felodipine 2.5mg + 2.5mg; Altace Plus Felodipine 5mg + 5mg; Apo-ramipril; Apo-ramipril/hctz; Auro-ramipril; Ava-ramipril; Bio-ramipril; Dom-ramipril; Ipg-ramipril; Jamp-ramipril; Mar-ramipril; Mint-ramipril; Mylan-ramipril; Nra-ramipril; Ntp-ramipril; PMS-ramipril; PMS-ramipril-hctz; Pharma-ramipril; Priva-ramipril; Pro-ramipril - 1.25; Pro-ramipril - 10; Pro-ramipril - 2.5; Pro-ramipril - 5; Prv-ramipril; Ramace; Ramipril; Ramipril Capsules; Ramipril-10; Ramipril-2.5; Ramipril-5; Ramipril-hctz; Ratio-ramipril; Rbx-ramipril; Sandoz Ramipril; Taro-ramipril; Taro-ramipril Hctz; Teva-ramipril; Teva-ramipril/hctz; Van-ramipril

> <INTERNATIONAL_BRANDS>
Acovil; Carasel; Cardace; Delix; Hypren; Lostapres; Pramace; Quark; Triatec; Tritace; Vesdil

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