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| SMILES: | O(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(OC)=O)CO |
| InChI: | InChI=1/C24H37N3O7/c1-15(2)11-18(21(29)26-20(13-28)23(31)33-5)25-22(30)19(12-16(3)4)27-24(32)34-14-17-9-7-6-8-10-17/h6-10,15-16,18-20,28H,11-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,32)/t18-,19-,20+/m1/s1 |
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Potential Energy Epot(MMFF94)=114.552 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 479.574 g/mol | logS: -5.27744 | SlogP: 1.7749 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0548712 | Sterimol/B1: 2.07187 | Sterimol/B2: 3.79623 | Sterimol/B3: 3.9376 | |||
| Sterimol/B4: 10.1999 | Sterimol/L: 23.0448 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 810.748 | Positive charged surface: 559.376 | Negative charged surface: 251.372 | Volume: 467.25 | |||
| Hydrophobic surface: 582.56 | Hydrophilic surface: 228.188 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 3 | ||||||
| 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.