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ASINEX-ZINC00326604

 MMsINC code: MMs00119038
Type: Neutral
Formula: C13H11ClFNO2S
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChI:   InChI=1/C13H11ClFNO2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=15.153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.753 g/mol  logS: -4.02003  SlogP: 3.224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107131  Sterimol/B1: 2.91298  Sterimol/B2: 3.95701  Sterimol/B3: 4.15727
  Sterimol/B4: 5.89586  Sterimol/L: 15.4216 
 
 Surface and Volume Properties
  Accessible surface: 493.758  Positive charged surface: 202.837  Negative charged surface: 290.921  Volume: 248.875
  Hydrophobic surface: 409.343  Hydrophilic surface: 84.415
 
 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.