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ENAMINE-ZINC06509594 |
MMsINC code: MMs01665991 |
Type: Neutral Formula: C22H25N3O
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Potential Energy Epot(MMFF94)=77.3134 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 347.462 g/mol | logS: -7.7012 | SlogP: 5.3928 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0813935 | Sterimol/B1: 2.32181 | Sterimol/B2: 3.41269 | Sterimol/B3: 5.41263 | |||
Sterimol/B4: 6.72227 | Sterimol/L: 16.6483 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 585.036 | Positive charged surface: 423.232 | Negative charged surface: 156.303 | Volume: 342.375 | |||
Hydrophobic surface: 489.316 | Hydrophilic surface: 95.72 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | 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: 1 | Oprea's lead like rule: 0 |
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