 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | Clc1ccc(cc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)[O-])C |
| InChI: | InChI=1/C19H19ClN2O4/c1-12(21-18(24)14-7-9-15(20)10-8-14)17(23)22-16(19(25)26)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p-1/t12-,16+/m1/s1 |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=74.1431 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 373.816 g/mol | logS: -4.85074 | SlogP: 0.93567 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.119391 | Sterimol/B1: 2.29601 | Sterimol/B2: 4.00451 | Sterimol/B3: 6.07243 | |||
| Sterimol/B4: 7.1203 | Sterimol/L: 16.3223 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 611.989 | Positive charged surface: 294.319 | Negative charged surface: 317.671 | Volume: 343.375 | |||
| Hydrophobic surface: 452.084 | Hydrophilic surface: 159.905 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
| Chiral centers: 2 | ||||||
| Drug- and Lead-like Properties | ||||||
| Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | ||||
|
