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PUBCHEM-ZINC05839003

 MMsINC code: MMs03409632
Type: Neutral
Formula: C5H8FNO2
SMILES:   FC1CC(N)(C1)C(O)=O
InChI:   InChI=1/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.2262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.122 g/mol  logS: -0.15381  SlogP: 0.3203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.348154  Sterimol/B1: 2.40618  Sterimol/B2: 3.43328  Sterimol/B3: 3.82071
  Sterimol/B4: 4.3683  Sterimol/L: 8.94523 
 
 Surface and Volume Properties
  Accessible surface: 285.695  Positive charged surface: 95.2619  Negative charged surface: 85.0717  Volume: 114.375
  Hydrophobic surface: 105.362  Hydrophilic surface: 180.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03409633
PUBCHEM-ZINC05839003