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ENAMINE-ZINC03276929

 MMsINC code: MMs01345718
Type: Neutral
Formula: C8H5F2NS2
SMILES:   S(C(F)F)c1ccc(N=C=S)cc1
InChI:   InChI=1/C8H5F2NS2/c9-8(10)13-7-3-1-6(2-4-7)11-5-12/h1-4,8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.5672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.263 g/mol  logS: -3.67374  SlogP: 4.1555  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0247921  Sterimol/B1: 2.63661  Sterimol/B2: 2.64052  Sterimol/B3: 2.70732
  Sterimol/B4: 6.50074  Sterimol/L: 12.2723 
 
 Surface and Volume Properties
  Accessible surface: 368.725  Positive charged surface: 127.646  Negative charged surface: 241.079  Volume: 172.875
  Hydrophobic surface: 145.794  Hydrophilic surface: 222.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.