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| SMILES: | O=C1CC2(C(C1)CCC1C3CCC(C(CCC(C)C)C)C3(CCC12)C)C |
| InChI: | InChI=1/C25H42O/c1-16(2)6-7-17(3)21-10-11-22-20-9-8-18-14-19(26)15-25(18,5)23(20)12-13-24(21,22)4/h16-18,20-23H,6-15H2,1-5H3/t17-,18+,20-,21-,22+,23-,24-,25+/m1/s1 |
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Potential Energy Epot(MMFF94)=169.867 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 358.61 g/mol | logS: -10.2364 | SlogP: 6.8966 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0664058 | Sterimol/B1: 3.04653 | Sterimol/B2: 3.42819 | Sterimol/B3: 4.33968 | |||
| Sterimol/B4: 5.12214 | Sterimol/L: 18.9453 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 615.213 | Positive charged surface: 446.1 | Negative charged surface: 169.113 | Volume: 395 | |||
| Hydrophobic surface: 484.468 | Hydrophilic surface: 130.745 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 0 | Hydrogen bond acceptors: 1 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 8 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 | ||||
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Ions/Tautomers related molecules: no related molecules available.