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CHEMSTAR-ZINC03174033

 MMsINC code: MMs01085281
Type: Neutral
Formula: C7H4F6N2OS
SMILES:   s1ccnc1NC(=O)C(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C7H4F6N2OS/c8-6(9,10)3(7(11,12)13)4(16)15-5-14-1-2-17-5/h1-3H,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=-12.8804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.176 g/mol  logS: -2.9808  SlogP: 3.6622  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0609512  Sterimol/B1: 2.87188  Sterimol/B2: 3.08817  Sterimol/B3: 3.19927
  Sterimol/B4: 4.65259  Sterimol/L: 12.4234 
 
 Surface and Volume Properties
  Accessible surface: 387.427  Positive charged surface: 123.973  Negative charged surface: 263.454  Volume: 177.5
  Hydrophobic surface: 164.169  Hydrophilic surface: 223.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.