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ENAMINE-ZINC03289724

 MMsINC code: MMs01352618
Type: Neutral
Formula: C13H12ClNO2S
SMILES:   Clc1cc(S(=O)(=O)NCc2ccccc2)ccc1
InChI:   InChI=1/C13H12ClNO2S/c14-12-7-4-8-13(9-12)18(16,17)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2

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Potential Energy
Epot(MMFF94)=13.0331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.763 g/mol  logS: -3.72505  SlogP: 3.0849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118563  Sterimol/B1: 3.46292  Sterimol/B2: 4.32378  Sterimol/B3: 5.07531
  Sterimol/B4: 5.31322  Sterimol/L: 14.1117 
 
 Surface and Volume Properties
  Accessible surface: 495.182  Positive charged surface: 211.293  Negative charged surface: 283.889  Volume: 246.375
  Hydrophobic surface: 411.341  Hydrophilic surface: 83.841
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.