Type: Neutral
Formula: C17H20N2O3S2
SMILES: |
s1cccc1S(=O)(=O)N1CC(CCC1)C(=O)NCc1ccccc1 |
InChI: |
InChI=1/C17H20N2O3S2/c20-17(18-12-14-6-2-1-3-7-14)15-8-4-10-19(13-15)24(21,22)16-9-5-11-23-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,18,20)/t15-/m0/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 364.49 g/mol | logS: -3.51278 | SlogP: 2.7316 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0561529 | Sterimol/B1: 3.83443 | Sterimol/B2: 3.84634 | Sterimol/B3: 4.4264 |
Sterimol/B4: 4.82995 | Sterimol/L: 19.1437 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 608.455 | Positive charged surface: 333.346 | Negative charged surface: 275.109 | Volume: 328.125 |
Hydrophobic surface: 511.634 | Hydrophilic surface: 96.821 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 1 | | | |
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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. | | | |