Mrv1572004081602222D          

 34 37  0  0  0  0            999 V2000
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   -1.4640   -2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2345   -0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  0  0  0  0
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  2  3  1  0  0  0  0
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 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01134

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1

> <INCHI_KEY>
VVOIQBFMTVCINR-WWMZEODYSA-N

> <FORMULA>
C26H38O4

> <MOLECULAR_WEIGHT>
414.586

> <EXACT_MASS>
414.277009704

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
48.29750518223217

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(1S,2R,10S,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]-2-oxoethyl 2,2-dimethylpropanoate

> <ALOGPS_LOGP>
3.90

> <JCHEM_LOGP>
5.572018192333333

> <ALOGPS_LOGS>
-5.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.09312025341401

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.186235291232776

> <JCHEM_PKA_STRONGEST_BASIC>
-4.81497741426231

> <JCHEM_POLAR_SURFACE_AREA>
60.440000000000005

> <JCHEM_REFRACTIVITY>
117.26139999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.41e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
desoxycorticosterone pivalate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01134

> <SECONDARY_ACCESSION_NUMBERS>
APRD00709

> <DRUG_GROUPS>
experimental; vet_approved

> <GENERIC_NAME>
Desoxycorticosterone pivalate

> <SYNONYMS>
11-deoxycorticosterone pivalate; Deoxycorticosterone pivalate; Deoxycorticosterone trimethylacetate; Deoxycortone pivalate; Deoxycortone trimethylacetate; Desoxycorticosterone pivalate; Desoxycorticosterone trimethylacetate; Desoxycortone pivalate; DOCP; DTMA

> <INTERNATIONAL_BRANDS>
Cortexone M; Neodin-Depositum; Percorten; Percorten M; Percorten Pivalate; Zycortal

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