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APOLLO-ZINC00154254

 MMsINC code: MMs00044376
Type: Neutral
Formula: C10H5F4NO2
SMILES:   Fc1c(F)c(F)c2[nH]cc(c2c1F)CC(O)=O
InChI:   InChI=1/C10H5F4NO2/c11-6-5-3(1-4(16)17)2-15-10(5)9(14)8(13)7(6)12/h2,15H,1H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=27.9104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.147 g/mol  logS: -2.88557  SlogP: 2.35137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077525  Sterimol/B1: 2.35502  Sterimol/B2: 2.69383  Sterimol/B3: 3.54371
  Sterimol/B4: 6.48595  Sterimol/L: 11.6757 
 
 Surface and Volume Properties
  Accessible surface: 385.069  Positive charged surface: 177.367  Negative charged surface: 204.384  Volume: 176
  Hydrophobic surface: 248.115  Hydrophilic surface: 136.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00044377
APOLLO-ZINC00154254