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ANALYTICONDISCOVERY-ZINC04260892 |
MMsINC code: MMs00034861 |
Type: Ionized Formula: C19H27N6O3+
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Potential Energy Epot(MMFF94)=28.6443 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 387.464 g/mol | logS: -1.59982 | SlogP: -0.2424 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0405768 | Sterimol/B1: 2.61648 | Sterimol/B2: 3.11256 | Sterimol/B3: 4.28037 | |||
Sterimol/B4: 7.85289 | Sterimol/L: 20.5914 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 698.727 | Positive charged surface: 517.241 | Negative charged surface: 181.486 | Volume: 374.625 | |||
Hydrophobic surface: 500.266 | Hydrophilic surface: 198.461 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 1 | |||
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: 1 |
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