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NCID-ZINC01864284

 MMsINC code: MMs02374708
Type: Neutral
Formula: C14H10F2N2S
SMILES:   s1c2cc(F)c(F)cc2nc1-c1cc(C)c(N)cc1
InChI:   InChI=1/C14H10F2N2S/c1-7-4-8(2-3-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3

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Potential Energy
Epot(MMFF94)=56.9004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.31 g/mol  logS: -5.22696  SlogP: 4.13212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00368206  Sterimol/B1: 2.18157  Sterimol/B2: 2.33486  Sterimol/B3: 2.51201
  Sterimol/B4: 6.02725  Sterimol/L: 14.9641 
 
 Surface and Volume Properties
  Accessible surface: 470.19  Positive charged surface: 235.363  Negative charged surface: 234.826  Volume: 237.875
  Hydrophobic surface: 394.09  Hydrophilic surface: 76.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.