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ASINEX-ZINC00830591

 MMsINC code: MMs00185250
Type: Neutral
Formula: C11H7F3N2O3
SMILES:   FC(F)(F)c1nn(-c2cc(ccc2)C(O)=O)c(O)c1
InChI:   InChI=1/C11H7F3N2O3/c12-11(13,14)8-5-9(17)16(15-8)7-3-1-2-6(4-7)10(18)19/h1-5,17H,(H,18,19)

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Potential Energy
Epot(MMFF94)=91.8751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.182 g/mol  logS: -2.66697  SlogP: 2.6064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295633  Sterimol/B1: 2.57942  Sterimol/B2: 2.6984  Sterimol/B3: 3.24358
  Sterimol/B4: 6.32512  Sterimol/L: 13.344 
 
 Surface and Volume Properties
  Accessible surface: 440.244  Positive charged surface: 163.239  Negative charged surface: 277.005  Volume: 207.25
  Hydrophobic surface: 180.849  Hydrophilic surface: 259.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00185251
ASINEX-ZINC00830591