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PUBCHEM-ZINC02513930

 MMsINC code: MMs02891426
Type: Neutral
Formula: C8H10F3NO3
SMILES:   FC(F)(F)C(=O)N1CCC(CC1)C(O)=O
InChI:   InChI=1/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=44.2741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.166 g/mol  logS: -1.04481  SlogP: 1.2918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124182  Sterimol/B1: 2.60208  Sterimol/B2: 2.66701  Sterimol/B3: 3.47753
  Sterimol/B4: 4.88132  Sterimol/L: 11.8512 
 
 Surface and Volume Properties
  Accessible surface: 365.656  Positive charged surface: 193.841  Negative charged surface: 171.815  Volume: 171.875
  Hydrophobic surface: 143.711  Hydrophilic surface: 221.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02891427
PUBCHEM-ZINC02513930