Search | Help | MolPaint | Roadmap | Credits | Feedback |
CHEMDIV-ZINC04035564 |
MMsINC code: MMs00923790 |
Type: Neutral Formula: C20H23NO4
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=93.6584 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 341.407 g/mol | logS: -3.70139 | SlogP: 3.7145 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0493118 | Sterimol/B1: 2.99305 | Sterimol/B2: 3.64859 | Sterimol/B3: 3.74321 | |||
Sterimol/B4: 5.89376 | Sterimol/L: 17.6677 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 578.977 | Positive charged surface: 409.201 | Negative charged surface: 169.775 | Volume: 324.375 | |||
Hydrophobic surface: 436.565 | Hydrophilic surface: 142.412 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | 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 |
|