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| SMILES: | OC1CC2=CCC3C4CCC(C(CC/C(=C/CC)/C(C)C)C)C4(CCC3C2(CC1)C)C |
| InChI: | InChI=1/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
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Potential Energy Epot(MMFF94)=175.154 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 426.729 g/mol | logS: -11.1604 | SlogP: 8.335 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0607156 | Sterimol/B1: 2.12136 | Sterimol/B2: 2.78995 | Sterimol/B3: 5.95186 | |||
| Sterimol/B4: 6.21508 | Sterimol/L: 21.2247 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 726.216 | Positive charged surface: 536.393 | Negative charged surface: 189.823 | Volume: 476.125 | |||
| Hydrophobic surface: 557.301 | Hydrophilic surface: 168.915 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | 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.