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CHEMDIV-ZINC06938133

 MMsINC code: MMs01065332
Type: Neutral
Formula: C18H14FN3OS
SMILES:   S(C)c1nc(-c2ccccc2)c(cn1)C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C18H14FN3OS/c1-24-18-20-11-15(16(22-18)12-5-3-2-4-6-12)17(23)21-14-9-7-13(19)8-10-14/h2-11H,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=84.6149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.394 g/mol  logS: -6.57103  SlogP: 4.2569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609839  Sterimol/B1: 1.969  Sterimol/B2: 3.00459  Sterimol/B3: 3.56263
  Sterimol/B4: 9.64266  Sterimol/L: 16.3607 
 
 Surface and Volume Properties
  Accessible surface: 572.256  Positive charged surface: 311.372  Negative charged surface: 258.952  Volume: 307.5
  Hydrophobic surface: 485.222  Hydrophilic surface: 87.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.