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| SMILES: | S(=O)(=O)(Nc1ccc(cc1)C)c1cc(ccc1)C(=O)NC1CCCc2c1cccc2 |
| InChI: | InChI=1/C24H24N2O3S/c1-17-12-14-20(15-13-17)26-30(28,29)21-9-4-8-19(16-21)24(27)25-23-11-5-7-18-6-2-3-10-22(18)23/h2-4,6,8-10,12-16,23,26H,5,7,11H2,1H3,(H,25,27)/t23-/m1/s1 |
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Potential Energy Epot(MMFF94)=77.9474 kcal/mol |
MOE's Descriptors
| Physical Properties | ||||||
| Molecular Weight: 420.533 g/mol | logS: -6.33553 | SlogP: 4.69869 | Reactive groups: 0 | |||
| Topological Properties | ||||||
| Globularity: 0.095185 | Sterimol/B1: 2.55629 | Sterimol/B2: 3.18384 | Sterimol/B3: 6.39243 | |||
| Sterimol/B4: 7.38147 | Sterimol/L: 17.4386 | |||||
| Surface and Volume Properties | ||||||
| Accessible surface: 688.335 | Positive charged surface: 394.247 | Negative charged surface: 294.088 | Volume: 396.5 | |||
| Hydrophobic surface: 578.723 | Hydrophilic surface: 109.612 | |||||
| Pharmacophoric Properties | ||||||
| Hydrogen bond donors: 2 | 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 | ||||
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Ions/Tautomers related molecules: no related molecules available.