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APOLLO-ZINC02243198

 MMsINC code: MMs00051153
Type: Neutral
Formula: C6H5ClFNO2S
SMILES:   Clc1cccc(S(=O)(=O)N)c1F
InChI:   InChI=1/C6H5ClFNO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-8.15315 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: 0.091829  Sterimol/B1: 2.58027  Sterimol/B2: 2.62903  Sterimol/B3: 3.62238
  Sterimol/B4: 5.99342  Sterimol/L: 10.0422 
 
 Surface and Volume Properties
  Accessible surface: 341.14  Positive charged surface: 122.318  Negative charged surface: 218.822  Volume: 150.75
  Hydrophobic surface: 211.862  Hydrophilic surface: 129.278
 
 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


MMs00051154
APOLLO-ZINC02243198