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ENAMINE-ZINC06510476

 MMsINC code: MMs01666975
Type: Neutral
Formula: C13H10Cl2FNO2S
SMILES:   Clc1c(S(=O)(=O)NCc2ccccc2F)cccc1Cl
InChI:   InChI=1/C13H10Cl2FNO2S/c14-10-5-3-7-12(13(10)15)20(18,19)17-8-9-4-1-2-6-11(9)16/h1-7,17H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.0858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.198 g/mol  logS: -4.75432  SlogP: 3.8774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120744  Sterimol/B1: 3.84045  Sterimol/B2: 3.8838  Sterimol/B3: 4.209
  Sterimol/B4: 4.70669  Sterimol/L: 14.1268 
 
 Surface and Volume Properties
  Accessible surface: 499.029  Positive charged surface: 184.168  Negative charged surface: 314.861  Volume: 259
  Hydrophobic surface: 419.111  Hydrophilic surface: 79.918
 
 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.