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| SMILES: | O=C(Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])c1ccc(cc1)C(=O)Nc1cc(cc( c1)C(=O)[O-])C(=O)[O-] |
| InChI: | InChI=1/C24H16N2O10/c27-19(25-17-7-13(21(29)30)5-14(8-17)22(31)32)11-1-2-12(4-3-11)20(28)26-18-9-15(23(33)34)6-16(10-18)24(35)36/h1-10H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/p-4 |
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Potential Energy Epot(MMFF94)=125.496 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 488.364 g/mol | logS: -6.24426 | SlogP: -2.3548 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0446502 | Sterimol/B1: 2.42963 | Sterimol/B2: 4.30827 | Sterimol/B3: 4.55212 | |||
| Sterimol/B4: 7.16867 | Sterimol/L: 22.3505 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 742.152 | Positive charged surface: 269.651 | Negative charged surface: 472.501 | Volume: 405.625 | |||
| Hydrophobic surface: 303.205 | Hydrophilic surface: 438.947 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 8 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| 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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