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PUBCHEM-ZINC02513930

 MMsINC code: MMs02891427
Type: Ionized
Formula: C8H9F3NO3-
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)/p-1

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Potential Energy
Epot(MMFF94)=44.0377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.158 g/mol  logS: -1.30526  SlogP: -0.0429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144052  Sterimol/B1: 2.73325  Sterimol/B2: 2.95779  Sterimol/B3: 3.45263
  Sterimol/B4: 4.91406  Sterimol/L: 11.3755 
 
 Surface and Volume Properties
  Accessible surface: 361.891  Positive charged surface: 170.011  Negative charged surface: 191.88  Volume: 170.125
  Hydrophobic surface: 144.984  Hydrophilic surface: 216.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs02891426
PUBCHEM-ZINC02513930