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| SMILES: | P(O)(O)(=O)CC1OC(COP(=O)([O-])[O-])C(O)C1O |
| InChI: | InChI=1/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/p-2/t3-,4+,5-,6-/m1/s1 |
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Potential Energy Epot(MMFF94)=-28.2393 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 306.1 g/mol | logS: 1.4645 | SlogP: -5.6418 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.138511 | Sterimol/B1: 3.41259 | Sterimol/B2: 3.77565 | Sterimol/B3: 4.36706 | |||
| Sterimol/B4: 5.16691 | Sterimol/L: 13.1679 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 467.79 | Positive charged surface: 227.123 | Negative charged surface: 240.667 | Volume: 212.375 | |||
| Hydrophobic surface: 101.029 | Hydrophilic surface: 366.761 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 5 | Hydrogen bond acceptors: 7 | Acid groups: 3 | Basic groups: 0 | |||
| Chiral centers: 4 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 | ||||
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