Mrv1572004021604282D          

 41 45  0  0  0  0            999 V2000
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    0.1449    1.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650    0.6712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9707    1.9318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    1.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452   -0.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8395    0.6568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8687    1.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -0.1835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7088    0.6568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1727    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207    0.6278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9409    1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1151    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452   -1.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4778    1.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1733    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7673   -1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9551    0.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968   -0.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284   -1.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7673   -0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847    1.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9560    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284   -0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935    2.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551   -1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062   -2.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2452   -3.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6224    1.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9  6  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 16  1  0  0  0  0
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 16  8  2  0  0  0  0
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 22 21  1  0  0  0  0
 23 27  2  0  0  0  0
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 34 17  1  0  0  0  0
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 38 30  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  2  0  0  0  0
 41 38  1  0  0  0  0
  4  5  2  0  0  0  0
 23 26  1  0  0  0  0
 11 14  1  0  0  0  0
 39 34  2  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001815

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(=O)OCC1=C(C)OC(=O)O1)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)

> <INCHI_KEY>
UQGKUQLKSCSZGY-UHFFFAOYSA-N

> <FORMULA>
C29H30N6O6

> <MOLECULAR_WEIGHT>
558.595

> <EXACT_MASS>
558.22268271

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
57.30440423617439

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylate

> <ALOGPS_LOGP>
3.97

> <JCHEM_LOGP>
4.45833558883777

> <ALOGPS_LOGS>
-4.88

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.716032097352553

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.269276492191968

> <JCHEM_PKA_STRONGEST_BASIC>
3.8889803770494997

> <JCHEM_POLAR_SURFACE_AREA>
154.34

> <JCHEM_REFRACTIVITY>
163.45839999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.42e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}imidazole-4-carboxylate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001815

> <NAME>
Olmesartan medoxomil

> <DRUG_DRUGBANK_ID>
DB00275

> <DRUG_NAME>
Olmesartan

> <CAS_NUMBER>
144689-63-4

> <UNII>
6M97XTV3HD

$$$$