![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
PHARMEK-ZINC01754112 |
MMsINC code: MMs02621656 |
Type: Neutral Formula: C25H26N4O3
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=69.5565 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 430.508 g/mol | logS: -5.77088 | SlogP: 4.43938 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0868181 | Sterimol/B1: 2.5286 | Sterimol/B2: 2.7682 | Sterimol/B3: 6.74943 | |||
Sterimol/B4: 11.8051 | Sterimol/L: 18.2493 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 756.403 | Positive charged surface: 460.811 | Negative charged surface: 291.787 | Volume: 420.5 | |||
Hydrophobic surface: 595.848 | Hydrophilic surface: 160.555 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|