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| SMILES: | O(CCNC(=O)C(=O)NCc1cc(ccc1)CNC(=O)C(=O)NCCOC)C |
| InChI: | InChI=1/C18H26N4O6/c1-27-8-6-19-15(23)17(25)21-11-13-4-3-5-14(10-13)12-22-18(26)16(24)20-7-9-28-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26) |
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Potential Energy Epot(MMFF94)=74.804 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 394.428 g/mol | logS: -2.30756 | SlogP: -1.023 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0288955 | Sterimol/B1: 2.59182 | Sterimol/B2: 2.64222 | Sterimol/B3: 4.53329 | |||
| Sterimol/B4: 8.022 | Sterimol/L: 25.426 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 760.094 | Positive charged surface: 582.775 | Negative charged surface: 177.319 | Volume: 374.375 | |||
| Hydrophobic surface: 529.371 | Hydrophilic surface: 230.723 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | 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: 0 | ||||
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Ions/Tautomers related molecules: no related molecules available.