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| SMILES: | OCC(NC(=O)C(NC(=O)C[NH3+])C)CCCNC(=[NH2+])N |
| InChI: | InChI=1/C11H24N6O3/c1-7(16-9(19)5-12)10(20)17-8(6-18)3-2-4-15-11(13)14/h7-8,18H,2-6,12H2,1H3,(H,16,19)(H,17,20)(H4,13,14,15)/p+2/t7-,8-/m0/s1 |
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Potential Energy Epot(MMFF94)=-34.2503 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 290.368 g/mol | logS: -0.42701 | SlogP: -5.3463 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0810512 | Sterimol/B1: 2.09664 | Sterimol/B2: 4.89283 | Sterimol/B3: 5.23728 | |||
| Sterimol/B4: 6.45933 | Sterimol/L: 15.8111 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 584.501 | Positive charged surface: 475.907 | Negative charged surface: 108.593 | Volume: 286 | |||
| Hydrophobic surface: 232.436 | Hydrophilic surface: 352.065 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 4 | |||
| Chiral centers: 2 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 | ||||
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