Search | Help | MolPaint | Roadmap | Credits | Feedback |
NCID-ZINC04758434 |
MMsINC code: MMs02400715 |
Type: Neutral Formula: C21H29FO4
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=159.546 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 364.457 g/mol | logS: -2.95954 | SlogP: 3.1771 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.129216 | Sterimol/B1: 2.22027 | Sterimol/B2: 3.63929 | Sterimol/B3: 3.64401 | |||
Sterimol/B4: 6.50894 | Sterimol/L: 14.8692 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 529.27 | Positive charged surface: 338.934 | Negative charged surface: 190.336 | Volume: 340.75 | |||
Hydrophobic surface: 351.755 | Hydrophilic surface: 177.515 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | 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 |
|