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PUBCHEM-ZINC04118696 |
MMsINC code: MMs03092794 |
Type: Neutral Formula: C26H32FN3O3
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Potential Energy Epot(MMFF94)=114.701 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 453.558 g/mol | logS: -4.63902 | SlogP: 3.4488 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.235578 | Sterimol/B1: 3.88108 | Sterimol/B2: 4.95047 | Sterimol/B3: 7.00763 | |||
Sterimol/B4: 8.31944 | Sterimol/L: 15.8648 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 733.617 | Positive charged surface: 520.757 | Negative charged surface: 212.86 | Volume: 442.125 | |||
Hydrophobic surface: 672.399 | Hydrophilic surface: 61.218 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | 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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