![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC06511241 |
MMsINC code: MMs03776373 |
Type: Ionized Formula: C32H43N4O3+
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=73.6849 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 531.721 g/mol | logS: -6.19569 | SlogP: 4.43 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.186389 | Sterimol/B1: 3.40869 | Sterimol/B2: 3.82428 | Sterimol/B3: 7.19771 | |||
Sterimol/B4: 11.6505 | Sterimol/L: 20.508 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 910.69 | Positive charged surface: 614.434 | Negative charged surface: 296.256 | Volume: 557.75 | |||
Hydrophobic surface: 745.995 | Hydrophilic surface: 164.695 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 1 | |||
Chiral centers: 1 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
|