Search | Help | MolPaint | Roadmap | Credits | Feedback |
SIAL-ZINC01320014 |
MMsINC code: MMs03913771 |
Type: Neutral Formula: C23H34O5
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=77.6985 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 390.52 g/mol | logS: -3.71253 | SlogP: 3.9495 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.144872 | Sterimol/B1: 2.47759 | Sterimol/B2: 4.30414 | Sterimol/B3: 4.39157 | |||
Sterimol/B4: 10.9575 | Sterimol/L: 15.9825 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 682.563 | Positive charged surface: 469.181 | Negative charged surface: 213.382 | Volume: 395.5 | |||
Hydrophobic surface: 476.526 | Hydrophilic surface: 206.037 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | 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 |
|