Type: Neutral
Formula: C22H19ClN2O2S
SMILES: |
Clc1ccccc1C(=O)Nc1sc2c(CCC2)c1C(=O)Nc1ccc(cc1)C |
InChI: |
InChI=1/C22H19ClN2O2S/c1-13-9-11-14(12-10-13)24-21(27)19-16-6-4-8-18(16)28-22(19)25-20(26)15-5-2-3-7-17(15)23/h2-3,5,7,9-12H,4,6,8H2,1H3,(H,24,27)(H,25,26) |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 410.925 g/mol | logS: -7.07167 | SlogP: 5.70316 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0506326 | Sterimol/B1: 3.20382 | Sterimol/B2: 3.63207 | Sterimol/B3: 4.13845 |
Sterimol/B4: 11.0147 | Sterimol/L: 16.2246 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 669.363 | Positive charged surface: 369.349 | Negative charged surface: 300.014 | Volume: 374.875 |
Hydrophobic surface: 610.602 | Hydrophilic surface: 58.761 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 0 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 | |
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Ions/Tautomers related molecules: no related molecules available. | | | |