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CHEMDIV-ZINC06721285

 MMsINC code: MMs01000811
Type: Neutral
Formula: C22H14F2N2S2
SMILES:   s1c2c(nc1Cc1ccc(F)cc1)cc1sc(nc1c2)Cc1ccc(F)cc1
InChI:   InChI=1/C22H14F2N2S2/c23-15-5-1-13(2-6-15)9-21-25-17-11-20-18(12-19(17)27-21)26-22(28-20)10-14-3-7-16(24)8-4-14/h1-8,11-12H,9-10H2

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Potential Energy
Epot(MMFF94)=71.593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.496 g/mol  logS: -6.61456  SlogP: 6.36574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741388  Sterimol/B1: 2.76933  Sterimol/B2: 4.26358  Sterimol/B3: 4.72533
  Sterimol/B4: 5.07663  Sterimol/L: 16.9713 
 
 Surface and Volume Properties
  Accessible surface: 650.439  Positive charged surface: 323.557  Negative charged surface: 326.882  Volume: 357.25
  Hydrophobic surface: 619.57  Hydrophilic surface: 30.869
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.