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NCID-ZINC01692374

 MMsINC code: MMs02324125
Type: Neutral
Formula: C4H3Cl3N2S
SMILES:   ClC(Cl)(Cl)Sn1nccc1
InChI:   InChI=1/C4H3Cl3N2S/c5-4(6,7)10-9-3-1-2-8-9/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.507 g/mol  logS: -3.28245  SlogP: 3.127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679732  Sterimol/B1: 3.51419  Sterimol/B2: 3.51798  Sterimol/B3: 3.53698
  Sterimol/B4: 3.685  Sterimol/L: 11.0724 
 
 Surface and Volume Properties
  Accessible surface: 342.908  Positive charged surface: 93.9061  Negative charged surface: 249.002  Volume: 155.625
  Hydrophobic surface: 117.421  Hydrophilic surface: 225.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.