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NCID-ZINC05648289

 MMsINC code: MMs02482856
Type: Neutral
Formula: C21H11F3N2
SMILES:   FC(F)(F)c1cc2nc3c4c(c5c(c3nc2cc1)cccc5)cccc4
InChI:   InChI=1/C21H11F3N2/c22-21(23,24)12-9-10-17-18(11-12)26-20-16-8-4-2-6-14(16)13-5-1-3-7-15(13)19(20)25-17/h1-11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.53 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.327 g/mol  logS: -7.31187  SlogP: 6.4197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00536866  Sterimol/B1: 2.63803  Sterimol/B2: 2.63808  Sterimol/B3: 3.37662
  Sterimol/B4: 8.73012  Sterimol/L: 15.0053 
 
 Surface and Volume Properties
  Accessible surface: 541.265  Positive charged surface: 216.618  Negative charged surface: 302.504  Volume: 304.125
  Hydrophobic surface: 398.25  Hydrophilic surface: 143.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.