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ENAMINE-ZINC00362051

 MMsINC code: MMs01228919
Type: Neutral
Formula: C14H14ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccc(cc2)C)cc1
InChI:   InChI=1/C14H14ClNO2S/c1-11-2-4-12(5-3-11)10-16-19(17,18)14-8-6-13(15)7-9-14/h2-9,16H,10H2,1H3

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Potential Energy
Epot(MMFF94)=19.1604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.79 g/mol  logS: -4.19897  SlogP: 3.39332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821891  Sterimol/B1: 3.53029  Sterimol/B2: 4.01361  Sterimol/B3: 4.1252
  Sterimol/B4: 5.35317  Sterimol/L: 16.0427 
 
 Surface and Volume Properties
  Accessible surface: 518.757  Positive charged surface: 236.528  Negative charged surface: 282.229  Volume: 264.25
  Hydrophobic surface: 435.216  Hydrophilic surface: 83.541
 
 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.