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NCID-ZINC01561754

 MMsINC code: MMs02223865
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-/m0/s1

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Potential Energy
Epot(MMFF94)=33.0395 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: 0.334372  Sterimol/B1: 2.55588  Sterimol/B2: 2.71338  Sterimol/B3: 3.79302
  Sterimol/B4: 4.92326  Sterimol/L: 9.00058 
 
 Surface and Volume Properties
  Accessible surface: 300.77  Positive charged surface: 170.568  Negative charged surface: 130.202  Volume: 122.875
  Hydrophobic surface: 79.2323  Hydrophilic surface: 221.5377
 
 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


MMs02223866
NCID-ZINC01561754