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NCID-ZINC01865424

 MMsINC code: MMs02374947
Type: Neutral
Formula: C8H9Cl2NO2S
SMILES:   Clc1cc(S(=O)(=O)NCC)ccc1Cl
InChI:   InChI=1/C8H9Cl2NO2S/c1-2-11-14(12,13)6-3-4-7(9)8(10)5-6/h3-5,11H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.85541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.137 g/mol  logS: -3.01865  SlogP: 2.2916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15252  Sterimol/B1: 2.42926  Sterimol/B2: 4.32646  Sterimol/B3: 5.00928
  Sterimol/B4: 5.0289  Sterimol/L: 12.5366 
 
 Surface and Volume Properties
  Accessible surface: 416.045  Positive charged surface: 166.821  Negative charged surface: 249.224  Volume: 198
  Hydrophobic surface: 311.496  Hydrophilic surface: 104.549
 
 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.