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| SMILES: | O(C)c1ccccc1N(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NC1CCCCC1 |
| InChI: | InChI=1/C24H30N4O4/c1-32-20-12-6-5-11-19(20)28(17-23(30)26-18-9-3-2-4-10-18)24(31)15-14-22(29)27-21-13-7-8-16-25-21/h5-8,11-13,16,18H,2-4,9-10,14-15,17H2,1H3,(H,26,30)(H,25,27,29) |
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Potential Energy Epot(MMFF94)=111.192 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 438.528 g/mol | logS: -3.98846 | SlogP: 3.291 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0868827 | Sterimol/B1: 1.969 | Sterimol/B2: 5.42848 | Sterimol/B3: 6.92612 | |||
| Sterimol/B4: 6.99953 | Sterimol/L: 20.8205 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 760.096 | Positive charged surface: 564.841 | Negative charged surface: 195.255 | Volume: 428 | |||
| Hydrophobic surface: 649.597 | Hydrophilic surface: 110.499 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | 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.