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PUBCHEM-ZINC06234172

 MMsINC code: MMs03627712
Type: Neutral
Formula: C14H11ClF3NO2S
SMILES:   Clc1cc(S(=O)(=O)NCc2ccc(F)c(F)c2F)ccc1C
InChI:   InChI=1/C14H11ClF3NO2S/c1-8-2-4-10(6-11(8)15)22(20,21)19-7-9-3-5-12(16)14(18)13(9)17/h2-6,19H,7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.76 g/mol  logS: -4.77046  SlogP: 3.81062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889557  Sterimol/B1: 3.07851  Sterimol/B2: 3.93537  Sterimol/B3: 4.61402
  Sterimol/B4: 6.08616  Sterimol/L: 15.6525 
 
 Surface and Volume Properties
  Accessible surface: 528.577  Positive charged surface: 211.516  Negative charged surface: 317.06  Volume: 272.25
  Hydrophobic surface: 446.524  Hydrophilic surface: 82.053
 
 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.