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ENAMINE-ZINC02566814

 MMsINC code: MMs01251942
Type: Neutral
Formula: C4H4ClNS
SMILES:   ClCc1ncsc1
InChI:   InChI=1/C4H4ClNS/c5-1-4-2-7-3-6-4/h2-3H,1H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.602 g/mol  logS: -1.14627  SlogP: 2.1483  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0990245  Sterimol/B1: 2.22534  Sterimol/B2: 2.38102  Sterimol/B3: 3.52089
  Sterimol/B4: 3.99512  Sterimol/L: 8.70584 
 
 Surface and Volume Properties
  Accessible surface: 279.114  Positive charged surface: 123.347  Negative charged surface: 155.767  Volume: 108.875
  Hydrophobic surface: 154.503  Hydrophilic surface: 124.611
 
 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.