![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
CHEMDIV-ZINC05067552 |
MMsINC code: MMs00986600 |
Type: Neutral Formula: C22H30N2O3
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=61.7754 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 370.493 g/mol | logS: -4.64 | SlogP: 3.7416 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0287432 | Sterimol/B1: 3.05459 | Sterimol/B2: 3.96928 | Sterimol/B3: 4.45508 | |||
Sterimol/B4: 6.18079 | Sterimol/L: 20.6003 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 679.163 | Positive charged surface: 488.381 | Negative charged surface: 190.782 | Volume: 377.375 | |||
Hydrophobic surface: 564.357 | Hydrophilic surface: 114.806 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|