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ENAMINE-ZINC03252885

 MMsINC code: MMs01331766
Type: Neutral
Formula: C13H11ClFNO2S
SMILES:   Clc1ccccc1CNS(=O)(=O)c1ccccc1F
InChI:   InChI=1/C13H11ClFNO2S/c14-11-6-2-1-5-10(11)9-16-19(17,18)13-8-4-3-7-12(13)15/h1-8,16H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.5911 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: 0.111344  Sterimol/B1: 3.30202  Sterimol/B2: 4.06103  Sterimol/B3: 4.10891
  Sterimol/B4: 4.6203  Sterimol/L: 14.133 
 
 Surface and Volume Properties
  Accessible surface: 476.87  Positive charged surface: 199.016  Negative charged surface: 277.854  Volume: 247.75
  Hydrophobic surface: 394.791  Hydrophilic surface: 82.079
 
 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.