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| SMILES: | [PH](=O)(CCC(N)C(=O)N(C(C(=O)[O-])C)C(=O)C(NC(=O)C)C)CO |
| InChI: | InChI=1/C13H24N3O7P/c1-7(15-9(3)18)11(19)16(8(2)13(21)22)12(20)10(14)4-5-24(23)6-17/h7-8,10,17,24H,4-6,14H2,1-3H3,(H,15,18)(H,21,22)/p-1/t7-,8-,10-/m0/s1 |
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Potential Energy Epot(MMFF94)=63.6026 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 364.315 g/mol | logS: -0.65421 | SlogP: -3.8387 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0938833 | Sterimol/B1: 2.06583 | Sterimol/B2: 3.62816 | Sterimol/B3: 6.0933 | |||
| Sterimol/B4: 6.39277 | Sterimol/L: 18.3573 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 617.687 | Positive charged surface: 357.626 | Negative charged surface: 260.061 | Volume: 321.875 | |||
| Hydrophobic surface: 298.195 | Hydrophilic surface: 319.492 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 4 | ||||||
| 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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