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PUBCHEM-ZINC05599159

 MMsINC code: MMs03319159
Type: Neutral
Formula: C5H8FNO3
SMILES:   FC(CC)(C(=O)N)C(O)=O
InChI:   InChI=1/C5H8FNO3/c1-2-5(6,3(7)8)4(9)10/h2H2,1H3,(H2,7,8)(H,9,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=33.2811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.121 g/mol  logS: -0.71761  SlogP: 0.0945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.334551  Sterimol/B1: 2.56087  Sterimol/B2: 2.64723  Sterimol/B3: 3.81523
  Sterimol/B4: 4.78023  Sterimol/L: 9.02219 
 
 Surface and Volume Properties
  Accessible surface: 299.393  Positive charged surface: 169.301  Negative charged surface: 130.092  Volume: 120.5
  Hydrophobic surface: 79.1251  Hydrophilic surface: 220.2679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03319160
PUBCHEM-ZINC05599159