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APOLLO-ZINC00129003

 MMsINC code: MMs00043291
Type: Ionized
Formula: C7H6ClFNO2S-
SMILES:   Clc1cc(F)cc(S(=O)([O-])=[NH])c1C
InChI:   InChI=1/C7H6ClFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H-,10,11,12)/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.4708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.647 g/mol  logS: -2.82562  SlogP: 1.75912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841595  Sterimol/B1: 3.08564  Sterimol/B2: 3.22921  Sterimol/B3: 3.37371
  Sterimol/B4: 6.3837  Sterimol/L: 9.60461 
 
 Surface and Volume Properties
  Accessible surface: 355.202  Positive charged surface: 103.952  Negative charged surface: 251.251  Volume: 165.625
  Hydrophobic surface: 252.885  Hydrophilic surface: 102.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 3  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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Parent related molecule:


MMs00043290
APOLLO-ZINC00129003