 |
 |
|
 |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
| SMILES: | S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(=O)NC1CCCc2c1cccc2 |
| InChI: | InChI=1/C24H24N2O3S/c1-26(20-10-3-2-4-11-20)30(28,29)21-16-14-19(15-17-21)24(27)25-23-13-7-9-18-8-5-6-12-22(18)23/h2-6,8,10-12,14-17,23H,7,9,13H2,1H3,(H,25,27)/t23-/m1/s1 |
 |
|
| download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=94.4771 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 420.533 g/mol | logS: -5.93719 | SlogP: 4.41457 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.0732672 | Sterimol/B1: 2.30544 | Sterimol/B2: 3.6407 | Sterimol/B3: 5.88653 | |||
| Sterimol/B4: 7.05486 | Sterimol/L: 19.7116 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 677.341 | Positive charged surface: 395.933 | Negative charged surface: 281.408 | Volume: 397.25 | |||
| Hydrophobic surface: 594.501 | Hydrophilic surface: 82.84 | |||||
| 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.