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ASINEX-ZINC00612710

 MMsINC code: MMs00140786
Type: Neutral
Formula: C12H10F4N2O
SMILES:   FC(F)(C(F)F)c1nn(C)c(c1)-c1ccccc1O
InChI:   InChI=1/C12H10F4N2O/c1-18-8(7-4-2-3-5-9(7)19)6-10(17-18)12(15,16)11(13)14/h2-6,11,19H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.1889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.217 g/mol  logS: -3.10609  SlogP: 4.2402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622189  Sterimol/B1: 2.07271  Sterimol/B2: 2.15523  Sterimol/B3: 3.91165
  Sterimol/B4: 6.6549  Sterimol/L: 14.1595 
 
 Surface and Volume Properties
  Accessible surface: 449.712  Positive charged surface: 222.248  Negative charged surface: 227.464  Volume: 221
  Hydrophobic surface: 264.179  Hydrophilic surface: 185.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.