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| SMILES: | O1C(O)(CO)C([O-])C(O)C1COC1OC(CO)C(O)C(O)C1O |
| InChI: | InChI=1/C12H21O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-18,20H,1-3H2/q-1/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1 |
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Potential Energy Epot(MMFF94)=94.2205 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 341.289 g/mol | logS: 1.29597 | SlogP: -4.9574 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.183686 | Sterimol/B1: 2.35219 | Sterimol/B2: 2.61473 | Sterimol/B3: 5.47834 | |||
| Sterimol/B4: 7.019 | Sterimol/L: 13.561 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 520.688 | Positive charged surface: 339.649 | Negative charged surface: 181.039 | Volume: 277.625 | |||
| Hydrophobic surface: 212.53 | Hydrophilic surface: 308.158 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 7 | Hydrogen bond acceptors: 10 | Acid groups: 1 | Basic groups: 0 | |||
| Chiral centers: 9 | ||||||
| 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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