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IFLAB-ZINC02711557

 MMsINC code: MMs01998741
Type: Neutral
Formula: C11H12ClFN2O2S2
SMILES:   Clc1cccc(F)c1CSC1=NCCN1S(=O)(=O)C
InChI:   InChI=1/C11H12ClFN2O2S2/c1-19(16,17)15-6-5-14-11(15)18-7-8-9(12)3-2-4-10(8)13/h2-4H,5-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.36543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.812 g/mol  logS: -3.96883  SlogP: 2.6099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10594  Sterimol/B1: 2.47493  Sterimol/B2: 3.58021  Sterimol/B3: 4.42546
  Sterimol/B4: 7.15956  Sterimol/L: 13.687 
 
 Surface and Volume Properties
  Accessible surface: 500.496  Positive charged surface: 261.079  Negative charged surface: 239.418  Volume: 254.125
  Hydrophobic surface: 406.589  Hydrophilic surface: 93.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.