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IBS-ZINC00495366

 MMsINC code: MMs01739724
Type: Neutral
Formula: C7H8F2N2S
SMILES:   S(C(F)F)c1nc(cc(n1)C)C
InChI:   InChI=1/C7H8F2N2S/c1-4-3-5(2)11-7(10-4)12-6(8)9/h3,6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.95924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.217 g/mol  logS: -2.62153  SlogP: 2.82804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513088  Sterimol/B1: 2.02926  Sterimol/B2: 2.63809  Sterimol/B3: 2.63822
  Sterimol/B4: 7.01147  Sterimol/L: 10.9616 
 
 Surface and Volume Properties
  Accessible surface: 363.166  Positive charged surface: 188.779  Negative charged surface: 174.387  Volume: 162.375
  Hydrophobic surface: 227.731  Hydrophilic surface: 135.435
 
 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.