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| SMILES: | O(C(C)(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-] |
| InChI: | InChI=1/C13H22N4O7/c1-13(2,3)24-12(23)17-6-10(20)15-4-8(18)14-5-9(19)16-7-11(21)22/h4-7H2,1-3H3,(H,14,18)(H,15,20)(H,16,19)(H,17,23)(H,21,22)/p-1 |
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Potential Energy Epot(MMFF94)=32.4308 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 345.332 g/mol | logS: -1.59556 | SlogP: -3.3904 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0158839 | Sterimol/B1: 2.38217 | Sterimol/B2: 2.78886 | Sterimol/B3: 4.19811 | |||
| Sterimol/B4: 4.9149 | Sterimol/L: 23.2589 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 648.155 | Positive charged surface: 423.751 | Negative charged surface: 224.404 | Volume: 310.75 | |||
| Hydrophobic surface: 291.208 | Hydrophilic surface: 356.947 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 0 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 | ||||
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