 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | Fc1ccccc1N(C(=O)CCCC(=O)Nc1ncccc1)CC(=O)NC1CCCC1 |
| InChI: | InChI=1/C23H27FN4O3/c24-18-10-3-4-11-19(18)28(16-22(30)26-17-8-1-2-9-17)23(31)14-7-13-21(29)27-20-12-5-6-15-25-20/h3-6,10-12,15,17H,1-2,7-9,13-14,16H2,(H,26,30)(H,25,27,29) |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=103.065 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 426.492 g/mol | logS: -3.91961 | SlogP: 3.4215 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0432718 | Sterimol/B1: 2.6933 | Sterimol/B2: 3.03007 | Sterimol/B3: 4.68047 | |||
| Sterimol/B4: 9.99066 | Sterimol/L: 21.524 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 749.475 | Positive charged surface: 520.474 | Negative charged surface: 229.001 | Volume: 407 | |||
| Hydrophobic surface: 629.395 | Hydrophilic surface: 120.08 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | 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 | ||||
|
Ions/Tautomers related molecules: no related molecules available.