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ENAMINE-ZINC03293551 |
MMsINC code: MMs01354652 |
Type: Tautomer Formula: C25H33N3O3
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Potential Energy Epot(MMFF94)=129.211 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 423.557 g/mol | logS: -5.88962 | SlogP: 4.6904 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0478454 | Sterimol/B1: 2.43857 | Sterimol/B2: 3.91607 | Sterimol/B3: 4.40646 | |||
Sterimol/B4: 12.0889 | Sterimol/L: 20.0837 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 763.763 | Positive charged surface: 521.148 | Negative charged surface: 242.615 | Volume: 427.875 | |||
Hydrophobic surface: 633.625 | Hydrophilic surface: 130.138 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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