Search | Help | MolPaint | Roadmap | Credits | Feedback |
ACROSORGANICS-ZINC03833824 |
MMsINC code: MMs00015216 |
Type: Neutral Formula: C21H28O5
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=146.385 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 360.45 g/mol | logS: -2.59273 | SlogP: 1.8457 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.113275 | Sterimol/B1: 2.18835 | Sterimol/B2: 3.22745 | Sterimol/B3: 5.16648 | |||
Sterimol/B4: 5.7076 | Sterimol/L: 15.4861 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 537.031 | Positive charged surface: 367.533 | Negative charged surface: 169.497 | Volume: 337.75 | |||
Hydrophobic surface: 357.734 | Hydrophilic surface: 179.297 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | 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 |
|