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ENAMINE-ZINC03460001 |
MMsINC code: MMs01456661 |
Type: Neutral Formula: C21H26N2O
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Potential Energy Epot(MMFF94)=83.6459 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 322.452 g/mol | logS: -4.7816 | SlogP: 4.43567 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0585134 | Sterimol/B1: 2.15064 | Sterimol/B2: 2.83067 | Sterimol/B3: 4.39936 | |||
Sterimol/B4: 7.49229 | Sterimol/L: 16.4031 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 609.57 | Positive charged surface: 400.558 | Negative charged surface: 209.013 | Volume: 342 | |||
Hydrophobic surface: 519.878 | Hydrophilic surface: 89.692 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | 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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