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ENAMINE-ZINC05937032

 MMsINC code: MMs01646064
Type: Neutral
Formula: C6H5ClFNO2S
SMILES:   Clc1cc(F)c(S(=O)(=O)N)cc1
InChI:   InChI=1/C6H5ClFNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-11.0516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.628 g/mol  logS: -2.64076  SlogP: 1.1265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884102  Sterimol/B1: 2.63968  Sterimol/B2: 2.65512  Sterimol/B3: 3.59331
  Sterimol/B4: 4.84951  Sterimol/L: 11.2455 
 
 Surface and Volume Properties
  Accessible surface: 343.537  Positive charged surface: 121.256  Negative charged surface: 222.281  Volume: 148.875
  Hydrophobic surface: 214.147  Hydrophilic surface: 129.39
 
 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


MMs01646065
ENAMINE-ZINC05937032