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ASINEX-ZINC00281170

 MMsINC code: MMs00107271
Type: Neutral
Formula: C10H9F4N2+
SMILES:   FC(C(F)(F)F)c1[nH+]c2cc(ccc2[nH]1)C
InChI:   InChI=1/C10H8F4N2/c1-5-2-3-6-7(4-5)16-9(15-6)8(11)10(12,13)14/h2-4,8H,1H3,(H,15,16)/p+1/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.1522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.188 g/mol  logS: -3.46617  SlogP: 3.37872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365303  Sterimol/B1: 2.66497  Sterimol/B2: 3.01535  Sterimol/B3: 3.21975
  Sterimol/B4: 5.33798  Sterimol/L: 13.0583 
 
 Surface and Volume Properties
  Accessible surface: 400.775  Positive charged surface: 196.957  Negative charged surface: 203.818  Volume: 183.75
  Hydrophobic surface: 211.18  Hydrophilic surface: 189.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 1
 
 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


MMs00107272
ASINEX-ZINC00281170