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PUBCHEM-ZINC05112944

 MMsINC code: MMs03201375
Type: Neutral
Formula: C5H10FNO2
SMILES:   FCC(N)CCC(O)=O
InChI:   InChI=1/C5H10FNO2/c6-3-4(7)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.58866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 135.138 g/mol  logS: 0.31488  SlogP: 0.148  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10646  Sterimol/B1: 2.5755  Sterimol/B2: 2.73746  Sterimol/B3: 3.00296
  Sterimol/B4: 3.9192  Sterimol/L: 10.9205 
 
 Surface and Volume Properties
  Accessible surface: 308.719  Positive charged surface: 209.662  Negative charged surface: 99.0564  Volume: 123.125
  Hydrophobic surface: 126.798  Hydrophilic surface: 181.921
 
 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: no related molecules available.