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PUBCHEM-ZINC02040719

 MMsINC code: MMs02862813
Type: Neutral
Formula: C4H8FNO2
SMILES:   FCCCC[N+](=O)[O-]
InChI:   InChI=1/C4H8FNO2/c5-3-1-2-4-6(7)8/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.5805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 121.111 g/mol  logS: -1.07848  SlogP: 1.0128  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112637  Sterimol/B1: 2.50506  Sterimol/B2: 2.65997  Sterimol/B3: 2.86021
  Sterimol/B4: 3.14058  Sterimol/L: 10.3275 
 
 Surface and Volume Properties
  Accessible surface: 288.295  Positive charged surface: 158.563  Negative charged surface: 129.732  Volume: 104.625
  Hydrophobic surface: 163.15  Hydrophilic surface: 125.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.