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CHEMBLOCK-ZINC04626184

 MMsINC code: MMs00566162
Type: Neutral
Formula: C16H10F3N7O
SMILES:   FC(F)(F)c1[nH]c2c(n1)c(NC(=O)c1ccc(-n3nnnc3)cc1)ccc2
InChI:   InChI=1/C16H10F3N7O/c17-16(18,19)15-22-12-3-1-2-11(13(12)23-15)21-14(27)9-4-6-10(7-5-9)26-8-20-24-25-26/h1-8H,(H,21,27)(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.298 g/mol  logS: -4.33139  SlogP: 3.1212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131538  Sterimol/B1: 2.097  Sterimol/B2: 2.53987  Sterimol/B3: 3.2427
  Sterimol/B4: 8.12332  Sterimol/L: 17.1292 
 
 Surface and Volume Properties
  Accessible surface: 570.782  Positive charged surface: 224.038  Negative charged surface: 313.517  Volume: 295.625
  Hydrophobic surface: 334.584  Hydrophilic surface: 236.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.