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| SMILES: | FCC(O)C(O)C(O)C(NC(=O)C)C(O)CC(=O)C(=O)[O-] |
| InChI: | InChI=1/C11H18FNO8/c1-4(14)13-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-12/h5,7-10,15,17-19H,2-3H2,1H3,(H,13,14)(H,20,21)/p-1/t5-,7+,8+,9+,10+/m0/s1 |
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Potential Energy Epot(MMFF94)=57.9259 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 310.254 g/mol | logS: 0.24644 | SlogP: -4.3867 | Reactive groups: 1 | |||
| Topological Properties | ||||||
| Globularity: 0.107763 | Sterimol/B1: 2.33561 | Sterimol/B2: 2.91674 | Sterimol/B3: 3.88341 | |||
| Sterimol/B4: 7.44449 | Sterimol/L: 15.4894 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 501.471 | Positive charged surface: 280.099 | Negative charged surface: 221.371 | Volume: 254.375 | |||
| Hydrophobic surface: 200.395 | Hydrophilic surface: 301.076 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 5 | Hydrogen bond acceptors: 6 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 5 | ||||||
| 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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