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| SMILES: | P(OC\C=C(/CC\C=C(/CCC=C(C)C)\C)\C)(=O)([O-])[O-] |
| InChI: | InChI=1/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/p-2/b14-9+,15-11+ |
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Potential Energy Epot(MMFF94)=8.3862 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 300.335 g/mol | logS: -4.18337 | SlogP: 2.1807 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0601256 | Sterimol/B1: 2.97015 | Sterimol/B2: 3.31119 | Sterimol/B3: 4.65664 | |||
| Sterimol/B4: 6.20268 | Sterimol/L: 19.0399 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 614.432 | Positive charged surface: 353.589 | Negative charged surface: 260.843 | Volume: 308.375 | |||
| Hydrophobic surface: 432.062 | Hydrophilic surface: 182.37 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 0 | Hydrogen bond acceptors: 1 | Acid groups: 3 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| 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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