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OAKWOOD-ZINC02389340

 MMsINC code: MMs02543660
Type: Neutral
Formula: C7H3F2NS
SMILES:   S=C=Nc1cc(F)cc(F)c1
InChI:   InChI=1/C7H3F2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H

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Potential Energy
Epot(MMFF94)=23.0253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.17 g/mol  logS: -3.15843  SlogP: 2.6991  Reactive groups: 1
 
 Topological Properties
  Globularity: 3.33172e-07  Sterimol/B1: 2.33198  Sterimol/B2: 2.33402  Sterimol/B3: 2.5638
  Sterimol/B4: 5.63139  Sterimol/L: 10.8977 
 
 Surface and Volume Properties
  Accessible surface: 315.916  Positive charged surface: 106.392  Negative charged surface: 209.524  Volume: 134.875
  Hydrophobic surface: 203.735  Hydrophilic surface: 112.181
 
 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.