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| SMILES: | FC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1[O-] |
| InChI: | InChI=1/C12H20FO10/c13-11-8(19)7(18)10(4(2-15)21-11)23-12-9(20)6(17)5(16)3(1-14)22-12/h3-12,14-18,20H,1-2H2/q-1/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1 |
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Potential Energy Epot(MMFF94)=89.8077 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 343.28 g/mol | logS: 0.94497 | SlogP: -3.5619 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.211016 | Sterimol/B1: 2.37412 | Sterimol/B2: 2.59215 | Sterimol/B3: 5.42458 | |||
| Sterimol/B4: 6.71028 | Sterimol/L: 12.79 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 491.211 | Positive charged surface: 307.653 | Negative charged surface: 183.559 | Volume: 271.125 | |||
| Hydrophobic surface: 192.312 | Hydrophilic surface: 298.899 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 6 | Hydrogen bond acceptors: 9 | Acid groups: 1 | Basic groups: 0 | |||
| Chiral centers: 10 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 | ||||
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