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APOLLO-ZINC01081546

 MMsINC code: MMs00049053
Type: Neutral
Formula: C6H5ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)N)c(F)cc1
InChI:   InChI=1/C6H5ClFNO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-11.4727 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: 0.0913271  Sterimol/B1: 2.65435  Sterimol/B2: 3.55741  Sterimol/B3: 3.60091
  Sterimol/B4: 4.67165  Sterimol/L: 10.1553 
 
 Surface and Volume Properties
  Accessible surface: 342.816  Positive charged surface: 121.33  Negative charged surface: 221.486  Volume: 149.375
  Hydrophobic surface: 213.468  Hydrophilic surface: 129.348
 
 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


MMs00049054
APOLLO-ZINC01081546