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| SMILES: | O(Cc1ccccc1)C(=O)NC(C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)CO |
| InChI: | InChI=1/C24H35N3O5/c28-16-21(26-24(31)32-17-18-10-4-1-5-11-18)22(29)27(20-14-8-3-9-15-20)23(30)25-19-12-6-2-7-13-19/h1,4-5,10-11,19-21,28H,2-3,6-9,12-17H2,(H,25,30)(H,26,31)/t21-/m0/s1 |
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Potential Energy Epot(MMFF94)=83.2563 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 445.56 g/mol | logS: -4.64268 | SlogP: 3.7437 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0571771 | Sterimol/B1: 3.48342 | Sterimol/B2: 4.1782 | Sterimol/B3: 4.66617 | |||
| Sterimol/B4: 7.82907 | Sterimol/L: 21.1723 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 761.316 | Positive charged surface: 523.084 | Negative charged surface: 238.232 | Volume: 433.125 | |||
| Hydrophobic surface: 607.522 | Hydrophilic surface: 153.794 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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: no related molecules available.