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CHEMBLOCK-ZINC04689830

 MMsINC code: MMs00569602
Type: Neutral
Formula: C17H20ClNO2S2
SMILES:   Clc1ccccc1CS(=O)(=O)Nc1ccc(SCCCC)cc1
InChI:   InChI=1/C17H20ClNO2S2/c1-2-3-12-22-16-10-8-15(9-11-16)19-23(20,21)13-14-6-4-5-7-17(14)18/h4-11,19H,2-3,12-13H2,1H3

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Potential Energy
Epot(MMFF94)=49.1822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.937 g/mol  logS: -5.79065  SlogP: 5.4405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460294  Sterimol/B1: 3.68924  Sterimol/B2: 3.87766  Sterimol/B3: 4.06563
  Sterimol/B4: 6.08607  Sterimol/L: 18.9831 
 
 Surface and Volume Properties
  Accessible surface: 621.914  Positive charged surface: 339.57  Negative charged surface: 282.344  Volume: 334.625
  Hydrophobic surface: 491.823  Hydrophilic surface: 130.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.