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CHEMBLOCK-ZINC04581040 |
MMsINC code: MMs00559429 |
Type: Neutral Formula: C21H26F3N3O3
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Potential Energy Epot(MMFF94)=61.2582 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 425.451 g/mol | logS: -6.37379 | SlogP: 3.93607 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0375949 | Sterimol/B1: 2.86785 | Sterimol/B2: 3.0452 | Sterimol/B3: 4.31552 | |||
Sterimol/B4: 7.7058 | Sterimol/L: 20.5866 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 685.7 | Positive charged surface: 419.625 | Negative charged surface: 266.074 | Volume: 379.625 | |||
Hydrophobic surface: 494.037 | Hydrophilic surface: 191.663 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
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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