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CHEMBLOCK-ZINC00067541

 MMsINC code: MMs00493341
Type: Neutral
Formula: C7H8F2N2OS
SMILES:   S(C)c1nc(cc(OC(F)F)n1)C
InChI:   InChI=1/C7H8F2N2OS/c1-4-3-5(12-6(8)9)11-7(10-4)13-2/h3,6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.225302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.216 g/mol  logS: -2.66978  SlogP: 2.52822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449796  Sterimol/B1: 2.63684  Sterimol/B2: 2.63948  Sterimol/B3: 4.44298
  Sterimol/B4: 5.23318  Sterimol/L: 10.4506 
 
 Surface and Volume Properties
  Accessible surface: 371.515  Positive charged surface: 191.662  Negative charged surface: 179.853  Volume: 170.5
  Hydrophobic surface: 214.557  Hydrophilic surface: 156.958
 
 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.