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CHEMBLOCK-ZINC04523925

 MMsINC code: MMs00554924
Type: Neutral
Formula: C19H16F4N2S
SMILES:   S\1C=C(N(CCC)/C/1=N/c1cc(ccc1)C(F)(F)F)c1ccc(F)cc1
InChI:   InChI=1/C19H16F4N2S/c1-2-10-25-17(13-6-8-15(20)9-7-13)12-26-18(25)24-16-5-3-4-14(11-16)19(21,22)23/h3-9,11-12H,2,10H2,1H3/b24-18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.409 g/mol  logS: -6.16325  SlogP: 6.6009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083547  Sterimol/B1: 2.15783  Sterimol/B2: 2.49113  Sterimol/B3: 5.29843
  Sterimol/B4: 7.90767  Sterimol/L: 17.6095 
 
 Surface and Volume Properties
  Accessible surface: 596.905  Positive charged surface: 274.695  Negative charged surface: 322.21  Volume: 328.375
  Hydrophobic surface: 425.37  Hydrophilic surface: 171.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.