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ASINEX-ZINC00830591

 MMsINC code: MMs00185251
Type: Ionized
Formula: C11H6F3N2O3-
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)/p-1

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Potential Energy
Epot(MMFF94)=74.7478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.174 g/mol  logS: -2.92742  SlogP: 1.2717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109013  Sterimol/B1: 2.58388  Sterimol/B2: 2.58536  Sterimol/B3: 2.94836
  Sterimol/B4: 6.61933  Sterimol/L: 12.6512 
 
 Surface and Volume Properties
  Accessible surface: 430.309  Positive charged surface: 138.013  Negative charged surface: 292.296  Volume: 205.75
  Hydrophobic surface: 185.516  Hydrophilic surface: 244.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00185250
ASINEX-ZINC00830591