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| SMILES: | O(C)c1ccccc1C(=O)NCCC(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N |
| InChI: | InChI=1/C19H20N4O5/c1-28-15-5-3-2-4-14(15)19(27)22-7-6-16(24)23-13-9-11(17(20)25)8-12(10-13)18(21)26/h2-5,8-10H,6-7H2,1H3,(H2,20,25)(H2,21,26)(H,22,27)(H,23,24) |
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Potential Energy Epot(MMFF94)=87.6613 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 384.392 g/mol | logS: -3.96398 | SlogP: 0.6516 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0152343 | Sterimol/B1: 2.23875 | Sterimol/B2: 2.85338 | Sterimol/B3: 3.80644 | |||
| Sterimol/B4: 7.20524 | Sterimol/L: 20.3464 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 667.593 | Positive charged surface: 434.757 | Negative charged surface: 232.836 | Volume: 348.25 | |||
| Hydrophobic surface: 375.098 | Hydrophilic surface: 292.495 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | 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: no related molecules available.