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ASINEX-ZINC01791947 |
MMsINC code: MMs00257563 |
Type: Neutral Formula: C20H23N7O2
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Potential Energy Epot(MMFF94)=0.280318 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 393.451 g/mol | logS: -3.92868 | SlogP: 2.77092 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0710564 | Sterimol/B1: 2.66553 | Sterimol/B2: 2.88738 | Sterimol/B3: 4.69559 | |||
Sterimol/B4: 10.3652 | Sterimol/L: 16.4436 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 680.982 | Positive charged surface: 493.64 | Negative charged surface: 187.343 | Volume: 373.5 | |||
Hydrophobic surface: 493.966 | Hydrophilic surface: 187.016 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
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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