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| SMILES: | O(C)c1ccc(cc1)CNC(=O)COC(=O)c1c2CCCCc2nc2c1cccc2 |
| InChI: | InChI=1/C24H24N2O4/c1-29-17-12-10-16(11-13-17)14-25-22(27)15-30-24(28)23-18-6-2-4-8-20(18)26-21-9-5-3-7-19(21)23/h2,4,6,8,10-13H,3,5,7,9,14-15H2,1H3,(H,25,27) |
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Potential Energy Epot(MMFF94)=95.12 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 404.466 g/mol | logS: -5.43481 | SlogP: 3.86174 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0278298 | Sterimol/B1: 3.08498 | Sterimol/B2: 4.34831 | Sterimol/B3: 6.01678 | |||
| Sterimol/B4: 6.16375 | Sterimol/L: 20.5817 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 720.646 | Positive charged surface: 476.311 | Negative charged surface: 238.65 | Volume: 388.25 | |||
| Hydrophobic surface: 609.685 | Hydrophilic surface: 110.961 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | 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.