Search | Help | MolPaint | Roadmap | Credits | Feedback |
NCID-ZINC04096806 |
MMsINC code: MMs02382573 |
Type: Neutral Formula: C21H30O4
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=164.411 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 346.467 g/mol | logS: -3.14467 | SlogP: 2.8092 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.143664 | Sterimol/B1: 3.07814 | Sterimol/B2: 3.73016 | Sterimol/B3: 3.85981 | |||
Sterimol/B4: 6.35845 | Sterimol/L: 15.043 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 527.364 | Positive charged surface: 348.551 | Negative charged surface: 178.813 | Volume: 337.125 | |||
Hydrophobic surface: 368.701 | Hydrophilic surface: 158.663 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|