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PUBCHEM-ZINC04690163

 MMsINC code: MMs03157223
Type: Neutral
Formula: C16H18ClNO3S2
SMILES:   Clc1ccc(SCCNS(=O)(=O)c2ccc(OCC)cc2)cc1
InChI:   InChI=1/C16H18ClNO3S2/c1-2-21-14-5-9-16(10-6-14)23(19,20)18-11-12-22-15-7-3-13(17)4-8-15/h3-10,18H,2,11-12H2,1H3

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Potential Energy
Epot(MMFF94)=41.2155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.909 g/mol  logS: -5.15048  SlogP: 3.8093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444875  Sterimol/B1: 2.29718  Sterimol/B2: 3.1534  Sterimol/B3: 4.55338
  Sterimol/B4: 8.37309  Sterimol/L: 20.1602 
 
 Surface and Volume Properties
  Accessible surface: 633.318  Positive charged surface: 314.766  Negative charged surface: 318.552  Volume: 325.625
  Hydrophobic surface: 485.756  Hydrophilic surface: 147.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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
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Ions/Tautomers related molecules: no related molecules available.