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PUBCHEM-ZINC06408886

 MMsINC code: MMs03712451
Type: Neutral
Formula: C20H20ClNO2S
SMILES:   Clc1c2c(cccc2S(=O)(=O)NC(CCc2ccccc2)C)ccc1
InChI:   InChI=1/C20H20ClNO2S/c1-15(13-14-16-7-3-2-4-8-16)22-25(23,24)19-12-6-10-17-9-5-11-18(21)20(17)19/h2-12,15,22H,13-14H2,1H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=122.869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.904 g/mol  logS: -6.19338  SlogP: 4.79277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804069  Sterimol/B1: 2.21274  Sterimol/B2: 2.41808  Sterimol/B3: 5.36309
  Sterimol/B4: 8.14052  Sterimol/L: 17.2768 
 
 Surface and Volume Properties
  Accessible surface: 588.714  Positive charged surface: 293.082  Negative charged surface: 284.458  Volume: 339.875
  Hydrophobic surface: 514.942  Hydrophilic surface: 73.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.