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OTAVA-ZINC05374654

 MMsINC code: MMs02594666
Type: Neutral
Formula: C14H9FN2OS2
SMILES:   S1\C(=C\c2[nH]ccc2)\C(=O)N(c2ccccc2F)C1=S
InChI:   InChI=1/C14H9FN2OS2/c15-10-5-1-2-6-11(10)17-13(18)12(20-14(17)19)8-9-4-3-7-16-9/h1-8,16H/b12-8-

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Potential Energy
Epot(MMFF94)=73.6337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.369 g/mol  logS: -4.95293  SlogP: 3.5596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577656  Sterimol/B1: 2.4737  Sterimol/B2: 3.52533  Sterimol/B3: 5.01411
  Sterimol/B4: 5.68387  Sterimol/L: 16.032 
 
 Surface and Volume Properties
  Accessible surface: 494.645  Positive charged surface: 191.041  Negative charged surface: 303.604  Volume: 256.5
  Hydrophobic surface: 332.262  Hydrophilic surface: 162.383
 
 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.