 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)CCCOc1ccccc1 |
| InChI: | InChI=1/C18H22N2O4S/c19-25(22,23)17-10-8-15(9-11-17)12-13-20-18(21)7-4-14-24-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,20,21)(H2,19,22,23) |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=34.6537 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 362.45 g/mol | logS: -3.7475 | SlogP: 1.85187 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0200238 | Sterimol/B1: 3.49077 | Sterimol/B2: 3.61753 | Sterimol/B3: 3.61934 | |||
| Sterimol/B4: 4.26754 | Sterimol/L: 23.6328 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 669.18 | Positive charged surface: 397.999 | Negative charged surface: 271.18 | Volume: 336.375 | |||
| Hydrophobic surface: 482.05 | Hydrophilic surface: 187.13 | |||||
| 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
