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| SMILES: | O=C1CC2(C(C1)CCC1C3CCC(C(CCCC(C)C)C)C3(CCC12)C)C |
| InChI: | InChI=1/C26H44O/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(27)16-26(19,5)24(21)13-14-25(22,23)4/h17-19,21-24H,6-16H2,1-5H3/t18-,19+,21+,22-,23+,24+,25-,26+/m1/s1 |
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Potential Energy Epot(MMFF94)=144.135 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 372.637 g/mol | logS: -10.7516 | SlogP: 7.2867 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0530704 | Sterimol/B1: 3.12363 | Sterimol/B2: 4.02095 | Sterimol/B3: 4.35025 | |||
| Sterimol/B4: 4.95505 | Sterimol/L: 20.0076 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 648.573 | Positive charged surface: 476.224 | Negative charged surface: 172.349 | Volume: 418.25 | |||
| Hydrophobic surface: 520.056 | Hydrophilic surface: 128.517 | |||||
| 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.