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| SMILES: | FC(F)(F)C(O)(CC(O)C1CCC2C3C(CCC12C)C1(C(CC(O)CC1)=CC3)C)C(F) (F)F |
| InChI: | InChI=1/C24H34F6O3/c1-20-9-7-14(31)11-13(20)3-4-15-16-5-6-18(21(16,2)10-8-17(15)20)19(32)12-22(33,23(25,26)27)24(28,29)30/h3,14-19,31-33H,4-12H2,1-2H3/t14-,15+,16-,17+,18+,19+,20-,21+/m0/s1 |
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Potential Energy Epot(MMFF94)=194.957 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 484.521 g/mol | logS: -7.11207 | SlogP: 6.3728 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.12136 | Sterimol/B1: 1.98706 | Sterimol/B2: 3.88819 | Sterimol/B3: 5.07095 | |||
| Sterimol/B4: 6.54327 | Sterimol/L: 17.4942 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 621.601 | Positive charged surface: 361.427 | Negative charged surface: 260.174 | Volume: 411.125 | |||
| Hydrophobic surface: 343.181 | Hydrophilic surface: 278.42 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | 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: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.