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CHEMBRIDGE-ZINC02868783

 MMsINC code: MMs00729922
Type: Neutral
Formula: C19H14F3N3OS
SMILES:   S(Cc1ccc(cc1)C(=O)Nc1cc(ccc1)C(F)(F)F)c1ncccn1
InChI:   InChI=1/C19H14F3N3OS/c20-19(21,22)15-3-1-4-16(11-15)25-17(26)14-7-5-13(6-8-14)12-27-18-23-9-2-10-24-18/h1-11H,12H2,(H,25,26)

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Potential Energy
Epot(MMFF94)=78.9913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.401 g/mol  logS: -6.70532  SlogP: 5.6179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198784  Sterimol/B1: 2.45116  Sterimol/B2: 2.99385  Sterimol/B3: 3.61163
  Sterimol/B4: 6.04781  Sterimol/L: 21.0752 
 
 Surface and Volume Properties
  Accessible surface: 629.281  Positive charged surface: 318.416  Negative charged surface: 310.865  Volume: 330.25
  Hydrophobic surface: 420.874  Hydrophilic surface: 208.407
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.