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ENAMINE-ZINC03321979

 MMsINC code: MMs01370677
Type: Neutral
Formula: C7H7Cl2NO2S
SMILES:   Clc1cc(Cl)ccc1S(=O)(=O)NC
InChI:   InChI=1/C7H7Cl2NO2S/c1-10-13(11,12)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.93779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.11 g/mol  logS: -2.69144  SlogP: 1.9015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199213  Sterimol/B1: 2.12805  Sterimol/B2: 3.26457  Sterimol/B3: 5.0539
  Sterimol/B4: 5.26528  Sterimol/L: 11.2673 
 
 Surface and Volume Properties
  Accessible surface: 379.585  Positive charged surface: 158.525  Negative charged surface: 221.061  Volume: 180.75
  Hydrophobic surface: 299.714  Hydrophilic surface: 79.871
 
 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: no related molecules available.