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NCID-ZINC05007955

 MMsINC code: MMs02427252
Type: Neutral
Formula: C7H3Cl5S
SMILES:   Clc1c(CS)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C7H3Cl5S/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.432 g/mol  logS: -6.01835  SlogP: 5.6498  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0598845  Sterimol/B1: 2.03833  Sterimol/B2: 3.81722  Sterimol/B3: 4.74481
  Sterimol/B4: 4.74753  Sterimol/L: 11.4281 
 
 Surface and Volume Properties
  Accessible surface: 399.568  Positive charged surface: 87.9718  Negative charged surface: 311.597  Volume: 202.875
  Hydrophobic surface: 347.325  Hydrophilic surface: 52.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.