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| SMILES: | OC(=O)C(NC(=O)NC1CCC(CC1)C)Cc1ccccc1 |
| InChI: | InChI=1/C17H24N2O3/c1-12-7-9-14(10-8-12)18-17(22)19-15(16(20)21)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,20,21)(H2,18,19,22)/t12-,14+,15-/m0/s1 |
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Potential Energy Epot(MMFF94)=24.4883 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 304.39 g/mol | logS: -3.4159 | SlogP: 2.56017 | Reactive groups: 1 | |||
| Topological Properties | ||||||
| Globularity: 0.120506 | Sterimol/B1: 2.66562 | Sterimol/B2: 4.13128 | Sterimol/B3: 4.63894 | |||
| Sterimol/B4: 7.50601 | Sterimol/L: 12.8249 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 554.31 | Positive charged surface: 369.122 | Negative charged surface: 185.189 | Volume: 306.375 | |||
| Hydrophobic surface: 411.594 | Hydrophilic surface: 142.716 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 1 | ||||||
| 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
