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ENAMINE-ZINC03109284

 MMsINC code: MMs01290483
Type: Neutral
Formula: C10H10F3N2+
SMILES:   FC(F)(F)c1cc2[nH+]c(n(c2cc1)C)C
InChI:   InChI=1/C10H9F3N2/c1-6-14-8-5-7(10(11,12)13)3-4-9(8)15(6)2/h3-5H,1-2H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.8378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.198 g/mol  logS: -2.72304  SlogP: 2.99032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292745  Sterimol/B1: 2.43743  Sterimol/B2: 2.60441  Sterimol/B3: 2.74856
  Sterimol/B4: 5.37933  Sterimol/L: 11.6234 
 
 Surface and Volume Properties
  Accessible surface: 390.09  Positive charged surface: 214.971  Negative charged surface: 175.119  Volume: 181.75
  Hydrophobic surface: 219.405  Hydrophilic surface: 170.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs01290484
ENAMINE-ZINC03109284