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| SMILES: | O=C([O-])CC1c2c(CCC1c1cc(ccc1)C)c1c(cc2)c(ccc1)C |
| InChI: | InChI=1/C24H24O2/c1-15-5-3-7-17(13-15)19-10-12-21-20-8-4-6-16(2)18(20)9-11-22(21)23(19)14-24(25)26/h3-9,11,13,19,23H,10,12,14H2,1-2H3,(H,25,26)/p-1/t19-,23-/m1/s1 |
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Potential Energy Epot(MMFF94)=82.5866 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 343.446 g/mol | logS: -7.28832 | SlogP: 4.41021 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0842713 | Sterimol/B1: 2.70804 | Sterimol/B2: 4.68877 | Sterimol/B3: 5.12226 | |||
| Sterimol/B4: 5.92018 | Sterimol/L: 17.2497 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 590.627 | Positive charged surface: 341.572 | Negative charged surface: 239.175 | Volume: 355.625 | |||
| Hydrophobic surface: 515.285 | Hydrophilic surface: 75.342 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 0 | Hydrogen bond acceptors: 0 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 2 | ||||||
| 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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