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PUBCHEM-ZINC06416381

 MMsINC code: MMs03717471
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-/m1/s1

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Potential Energy
Epot(MMFF94)=154.069 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: 0.081131  Sterimol/B1: 2.43968  Sterimol/B2: 4.07233  Sterimol/B3: 6.00014
  Sterimol/B4: 6.35085  Sterimol/L: 17.1378 
 
 Surface and Volume Properties
  Accessible surface: 581.171  Positive charged surface: 300.34  Negative charged surface: 274.936  Volume: 339.375
  Hydrophobic surface: 512.092  Hydrophilic surface: 69.079
 
 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.