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| SMILES: | OC(=O)c1ccccc1NC(=O)c1cc(NC(=O)CCCC(O)=O)ccc1 |
| InChI: | InChI=1/C19H18N2O6/c22-16(9-4-10-17(23)24)20-13-6-3-5-12(11-13)18(25)21-15-8-2-1-7-14(15)19(26)27/h1-3,5-8,11H,4,9-10H2,(H,20,22)(H,21,25)(H,23,24)(H,26,27) |
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Potential Energy Epot(MMFF94)=79.9977 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 370.361 g/mol | logS: -3.48781 | SlogP: 2.8305 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0273763 | Sterimol/B1: 2.40443 | Sterimol/B2: 2.68549 | Sterimol/B3: 3.78331 | |||
| Sterimol/B4: 9.14491 | Sterimol/L: 18.7828 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 635.653 | Positive charged surface: 382.121 | Negative charged surface: 253.533 | Volume: 332.75 | |||
| Hydrophobic surface: 378.511 | Hydrophilic surface: 257.142 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 6 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | ||||
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Ions/Tautomers related molecules
