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CHEMDIV-ZINC05043962 |
MMsINC code: MMs00982889 |
Type: Neutral Formula: C25H34FN3O2
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Potential Energy Epot(MMFF94)=89.1894 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 427.564 g/mol | logS: -6.18737 | SlogP: 5.20842 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0879788 | Sterimol/B1: 2.30534 | Sterimol/B2: 3.38762 | Sterimol/B3: 6.72406 | |||
Sterimol/B4: 7.39028 | Sterimol/L: 20.574 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 738.646 | Positive charged surface: 511.271 | Negative charged surface: 227.375 | Volume: 426.125 | |||
Hydrophobic surface: 640.044 | Hydrophilic surface: 98.602 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | 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: 1 | Oprea's lead like rule: 1 |
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