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ENAMINE-ZINC06610474

 MMsINC code: MMs01686392
Type: Neutral
Formula: C19H10FN3OS
SMILES:   s1c2c(ncnc2Oc2ccc(cc2)C#N)cc1-c1ccc(F)cc1
InChI:   InChI=1/C19H10FN3OS/c20-14-5-3-13(4-6-14)17-9-16-18(25-17)19(23-11-22-16)24-15-7-1-12(10-21)2-8-15/h1-9,11H

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Potential Energy
Epot(MMFF94)=71.3739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.373 g/mol  logS: -6.89203  SlogP: 5.16138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288853  Sterimol/B1: 2.38996  Sterimol/B2: 4.23007  Sterimol/B3: 4.72752
  Sterimol/B4: 5.276  Sterimol/L: 20.1149 
 
 Surface and Volume Properties
  Accessible surface: 579.894  Positive charged surface: 286.962  Negative charged surface: 292.932  Volume: 306.625
  Hydrophobic surface: 435.02  Hydrophilic surface: 144.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.