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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)=128.584 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: 0.162833 | Sterimol/B1: 3.2866 | Sterimol/B2: 5.13363 | Sterimol/B3: 7.13686 | |||
| Sterimol/B4: 7.19703 | Sterimol/L: 17.3078 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 769.08 | Positive charged surface: 543.862 | Negative charged surface: 225.218 | Volume: 526.75 | |||
| Hydrophobic surface: 611.94 | Hydrophilic surface: 157.14 | |||||
| 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.