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NCID-ZINC04706228 |
MMsINC code: MMs02394856 |
Type: Neutral Formula: C21H26F2O5
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Potential Energy Epot(MMFF94)=214.586 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 396.43 g/mol | logS: -3.09928 | SlogP: 2.4375 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.145281 | Sterimol/B1: 2.01375 | Sterimol/B2: 4.49438 | Sterimol/B3: 4.75478 | |||
Sterimol/B4: 5.95464 | Sterimol/L: 15.1114 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 546.635 | Positive charged surface: 346.041 | Negative charged surface: 200.594 | Volume: 344.75 | |||
Hydrophobic surface: 301.221 | Hydrophilic surface: 245.414 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
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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