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ANALYTICONDISCOVERY-ZINC05414570 |
MMsINC code: MMs00036974 |
Type: Neutral Formula: C22H23FN6O4
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Potential Energy Epot(MMFF94)=203.245 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 454.462 g/mol | logS: -2.23748 | SlogP: -0.0227 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0803017 | Sterimol/B1: 2.45717 | Sterimol/B2: 3.00307 | Sterimol/B3: 4.82541 | |||
Sterimol/B4: 11.1761 | Sterimol/L: 15.8982 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 682.727 | Positive charged surface: 487.427 | Negative charged surface: 195.299 | Volume: 399.625 | |||
Hydrophobic surface: 530.399 | Hydrophilic surface: 152.328 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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