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ENAMINE-ZINC01700292

 MMsINC code: MMs01243470
Type: Neutral
Formula: C7H7Cl2NO2S
SMILES:   Clc1cc(S(=O)(=O)NC)ccc1Cl
InChI:   InChI=1/C7H7Cl2NO2S/c1-10-13(11,12)5-2-3-6(8)7(9)4-5/h2-4,10H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.06732 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: 0.151204  Sterimol/B1: 2.33592  Sterimol/B2: 3.99658  Sterimol/B3: 4.62657
  Sterimol/B4: 4.82143  Sterimol/L: 11.2034 
 
 Surface and Volume Properties
  Accessible surface: 388.375  Positive charged surface: 162.13  Negative charged surface: 226.246  Volume: 181
  Hydrophobic surface: 297.907  Hydrophilic surface: 90.468
 
 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.