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| SMILES: | O(C(=O)C)CC(O)C(O)C(O)C(O)C(O)CC(=O)C(=O)[O-] |
| InChI: | InChI=1/C11H18O10/c1-4(12)21-3-7(15)9(17)10(18)8(16)5(13)2-6(14)11(19)20/h5,7-10,13,15-18H,2-3H2,1H3,(H,19,20)/p-1/t5-,7-,8+,9+,10+/m0/s1 |
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Potential Energy Epot(MMFF94)=64.6655 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 309.247 g/mol | logS: 0.53707 | SlogP: -4.9369 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0451539 | Sterimol/B1: 2.75213 | Sterimol/B2: 3.15883 | Sterimol/B3: 3.40033 | |||
| Sterimol/B4: 4.15488 | Sterimol/L: 18.7349 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 527.013 | Positive charged surface: 308.874 | Negative charged surface: 218.139 | Volume: 253.625 | |||
| Hydrophobic surface: 211.743 | Hydrophilic surface: 315.27 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 5 | Hydrogen bond acceptors: 7 | 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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