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ASINEX-ZINC00288033

 MMsINC code: MMs00109617
Type: Neutral
Formula: C14H14ClNO2S
SMILES:   Clc1cc(NS(=O)(=O)Cc2ccccc2)c(cc1)C
InChI:   InChI=1/C14H14ClNO2S/c1-11-7-8-13(15)9-14(11)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3

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Potential Energy
Epot(MMFF94)=51.5497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.79 g/mol  logS: -3.88552  SlogP: 3.85672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0728972  Sterimol/B1: 2.02527  Sterimol/B2: 2.46774  Sterimol/B3: 4.28053
  Sterimol/B4: 7.91244  Sterimol/L: 13.983 
 
 Surface and Volume Properties
  Accessible surface: 495.504  Positive charged surface: 229.723  Negative charged surface: 265.781  Volume: 261
  Hydrophobic surface: 427.26  Hydrophilic surface: 68.244
 
 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.