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ASINEX-ZINC03160684

 MMsINC code: MMs00287423
Type: Neutral
Formula: C10H12ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)NCCC=C)cc1
InChI:   InChI=1/C10H12ClNO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h2,4-7,12H,1,3,8H2

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Potential Energy
Epot(MMFF94)=11.0653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.73 g/mol  logS: -2.64875  SlogP: 2.1944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999233  Sterimol/B1: 3.14367  Sterimol/B2: 3.35169  Sterimol/B3: 4.12967
  Sterimol/B4: 5.83949  Sterimol/L: 13.9096 
 
 Surface and Volume Properties
  Accessible surface: 451.89  Positive charged surface: 204.899  Negative charged surface: 246.991  Volume: 214.5
  Hydrophobic surface: 316.702  Hydrophilic surface: 135.188
 
 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.