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| SMILES: | O(C(=O)C(C(C(C(=O)C)C(OC1CC(CCC1C(C)C)C)=O)C)C(=O)C)C1CC(CCC 1C(C)C)C |
| InChI: | InChI=1/C30H50O6/c1-16(2)23-12-10-18(5)14-25(23)35-29(33)27(21(8)31)20(7)28(22(9)32)30(34)36-26-15-19(6)11-13-24(26)17(3)4/h16-20,23-28H,10-15H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+/m1/s1 |
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Potential Energy Epot(MMFF94)=115.523 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 506.724 g/mol | logS: -7.75139 | SlogP: 6.0409 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0768026 | Sterimol/B1: 2.05372 | Sterimol/B2: 3.82412 | Sterimol/B3: 4.93813 | |||
| Sterimol/B4: 9.02148 | Sterimol/L: 18.5356 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 795.898 | Positive charged surface: 551.482 | Negative charged surface: 244.416 | Volume: 525.75 | |||
| Hydrophobic surface: 619.662 | Hydrophilic surface: 176.236 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 0 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 8 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.