Search | Help | MolPaint | Roadmap | Credits | Feedback |
NCID-ZINC04691936 |
MMsINC code: MMs02393568 |
Type: Neutral Formula: C22H31FO4
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=190.676 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 378.484 g/mol | logS: -3.97622 | SlogP: 3.0048 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.138331 | Sterimol/B1: 2.46568 | Sterimol/B2: 3.67958 | Sterimol/B3: 3.89006 | |||
Sterimol/B4: 7.31456 | Sterimol/L: 15.3239 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 550.529 | Positive charged surface: 360.625 | Negative charged surface: 189.904 | Volume: 355.125 | |||
Hydrophobic surface: 336.432 | Hydrophilic surface: 214.097 | |||||
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 |
|