Search | Help | MolPaint | Roadmap | Credits | Feedback |
IBS-ZINC02129284 |
MMsINC code: MMs01792267 |
Type: Neutral Formula: C23H18ClN3O5
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=159.749 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 451.866 g/mol | logS: -4.95172 | SlogP: 2.7809 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.118009 | Sterimol/B1: 3.01161 | Sterimol/B2: 3.81067 | Sterimol/B3: 5.54577 | |||
Sterimol/B4: 6.18324 | Sterimol/L: 17.9972 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 611.864 | Positive charged surface: 320.674 | Negative charged surface: 291.19 | Volume: 375 | |||
Hydrophobic surface: 432.39 | Hydrophilic surface: 179.474 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
|