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PUBCHEM-ZINC06045796

 MMsINC code: MMs03512327
Type: Neutral
Formula: C22H17F2NS
SMILES:   S(Cc1ccc(F)cc1)c1c2c(n(c1)Cc1cc(F)ccc1)cccc2
InChI:   InChI=1/C22H17F2NS/c23-18-10-8-16(9-11-18)15-26-22-14-25(21-7-2-1-6-20(21)22)13-17-4-3-5-19(24)12-17/h1-12,14H,13,15H2

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Potential Energy
Epot(MMFF94)=69.5388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.447 g/mol  logS: -6.71595  SlogP: 6.7929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785279  Sterimol/B1: 2.42376  Sterimol/B2: 2.7552  Sterimol/B3: 4.89668
  Sterimol/B4: 9.8739  Sterimol/L: 17.4363 
 
 Surface and Volume Properties
  Accessible surface: 616.286  Positive charged surface: 302.932  Negative charged surface: 307.511  Volume: 342.875
  Hydrophobic surface: 567.818  Hydrophilic surface: 48.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.