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ENAMINE-ZINC06657592 |
MMsINC code: MMs01694768 |
Type: Neutral Formula: C22H27N5O2
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Potential Energy Epot(MMFF94)=69.3796 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 393.491 g/mol | logS: -5.2911 | SlogP: 3.14137 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.112242 | Sterimol/B1: 2.29769 | Sterimol/B2: 4.11266 | Sterimol/B3: 4.57047 | |||
Sterimol/B4: 10.5993 | Sterimol/L: 16.7976 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 660.086 | Positive charged surface: 421.501 | Negative charged surface: 238.585 | Volume: 387.625 | |||
Hydrophobic surface: 472.959 | Hydrophilic surface: 187.127 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 4 | 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: 1 |
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