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ENAMINE-ZINC05163450

 MMsINC code: MMs01593934
Type: Neutral
Formula: C14H10F3N3O2
SMILES:   FC(F)(F)c1ccccc1N\N=C\c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C14H10F3N3O2/c15-14(16,17)12-6-1-2-7-13(12)19-18-9-10-4-3-5-11(8-10)20(21)22/h1-9,19H/b18-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.2014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.247 g/mol  logS: -4.85369  SlogP: 4.3711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00523998  Sterimol/B1: 2.63805  Sterimol/B2: 2.63807  Sterimol/B3: 3.19246
  Sterimol/B4: 5.63955  Sterimol/L: 16.2015 
 
 Surface and Volume Properties
  Accessible surface: 510.704  Positive charged surface: 188.587  Negative charged surface: 322.117  Volume: 255.625
  Hydrophobic surface: 302.702  Hydrophilic surface: 208.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.