Type: Neutral
Formula: C21H34O2
SMILES: |
OC1CC2CCC3C4CCC(C(=O)C)C4(CCC3C2(CC1)C)C |
InChI: |
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 318.501 g/mol | logS: -6.20395 | SlogP: 4.5952 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.19279 | Sterimol/B1: 2.34226 | Sterimol/B2: 4.0591 | Sterimol/B3: 4.71762 |
Sterimol/B4: 6.42215 | Sterimol/L: 13.8809 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 520.515 | Positive charged surface: 377.815 | Negative charged surface: 142.7 | Volume: 332.375 |
Hydrophobic surface: 417.2 | Hydrophilic surface: 103.315 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 8 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
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Ions/Tautomers related molecules: no related molecules available. | | | |