![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
CHEMDIV-ZINC06894551 |
MMsINC code: MMs01056214 |
Type: Neutral Formula: C21H19F2N3O2
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=125.349 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 383.398 g/mol | logS: -4.85312 | SlogP: 3.5467 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.153049 | Sterimol/B1: 2.39315 | Sterimol/B2: 3.13547 | Sterimol/B3: 5.23092 | |||
Sterimol/B4: 8.69476 | Sterimol/L: 15.1087 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 577.294 | Positive charged surface: 347.927 | Negative charged surface: 229.366 | Volume: 338.125 | |||
Hydrophobic surface: 511.194 | Hydrophilic surface: 66.1 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | 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 |
|