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CHEMBLOCK-ZINC01440854

 MMsINC code: MMs00526570
Type: Neutral
Formula: C17H10F6N4
SMILES:   FC(F)(F)c1[nH]c2c(n1)cc(cc2)Cc1cc2nc([nH]c2cc1)C(F)(F)F
InChI:   InChI=1/C17H10F6N4/c18-16(19,20)14-24-10-3-1-8(6-12(10)26-14)5-9-2-4-11-13(7-9)27-15(25-11)17(21,22)23/h1-4,6-7H,5H2,(H,24,26)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.7781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.283 g/mol  logS: -6.1174  SlogP: 5.69057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125367  Sterimol/B1: 2.84524  Sterimol/B2: 3.37674  Sterimol/B3: 5.54591
  Sterimol/B4: 6.14013  Sterimol/L: 17.6049 
 
 Surface and Volume Properties
  Accessible surface: 567.085  Positive charged surface: 220.057  Negative charged surface: 347.028  Volume: 291.875
  Hydrophobic surface: 256.114  Hydrophilic surface: 310.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00526571
CHEMBLOCK-ZINC01440854


MMs00526572
CHEMBLOCK-ZINC01440854