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APOLLO-ZINC00129003

 MMsINC code: MMs00043290
Type: Neutral
Formula: C7H7ClFNO2S
SMILES:   Clc1cc(F)cc(S(=O)(=O)N)c1C
InChI:   InChI=1/C7H7ClFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=6.3937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.655 g/mol  logS: -2.80123  SlogP: 1.43492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111914  Sterimol/B1: 2.92466  Sterimol/B2: 3.12788  Sterimol/B3: 3.13925
  Sterimol/B4: 6.05079  Sterimol/L: 9.98023 
 
 Surface and Volume Properties
  Accessible surface: 355.284  Positive charged surface: 133.418  Negative charged surface: 221.865  Volume: 164.625
  Hydrophobic surface: 235.47  Hydrophilic surface: 119.814
 
 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


MMs00043291
APOLLO-ZINC00129003