 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | Fc1ccccc1NC(=O)CCN(C(=O)c1ccoc1C)CC1OCCC1 |
| InChI: | InChI=1/C20H23FN2O4/c1-14-16(9-12-26-14)20(25)23(13-15-5-4-11-27-15)10-8-19(24)22-18-7-3-2-6-17(18)21/h2-3,6-7,9,12,15H,4-5,8,10-11,13H2,1H3,(H,22,24)/t15-/m1/s1 |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=85.2703 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 374.412 g/mol | logS: -4.20541 | SlogP: 3.37712 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.118417 | Sterimol/B1: 2.31433 | Sterimol/B2: 2.57267 | Sterimol/B3: 5.93657 | |||
| Sterimol/B4: 9.26588 | Sterimol/L: 17.0088 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 641.591 | Positive charged surface: 399.3 | Negative charged surface: 242.291 | Volume: 352.875 | |||
| Hydrophobic surface: 570.19 | Hydrophilic surface: 71.401 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
| Chiral centers: 1 | ||||||
| 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.