Search | Help | MolPaint | Roadmap | Credits | Feedback |
ANALYTICONDISCOVERY-ZINC04222667 |
MMsINC code: MMs00031163 |
Type: Neutral Formula: C27H35NO6
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=131.728 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 469.578 g/mol | logS: -5.68923 | SlogP: 3.88385 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0538747 | Sterimol/B1: 3.80229 | Sterimol/B2: 4.34434 | Sterimol/B3: 5.41908 | |||
Sterimol/B4: 9.31485 | Sterimol/L: 21.1803 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 818.548 | Positive charged surface: 597.745 | Negative charged surface: 220.803 | Volume: 462.75 | |||
Hydrophobic surface: 646.489 | Hydrophilic surface: 172.059 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
|