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PUBCHEM-ZINC01846024

 MMsINC code: MMs02823982
Type: Neutral
Formula: C5H12FNO
SMILES:   FCCOCCCN
InChI:   InChI=1/C5H12FNO/c6-2-5-8-4-1-3-7/h1-5,7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.84732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 121.155 g/mol  logS: 0.05  SlogP: 0.3213  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0601869  Sterimol/B1: 2.24239  Sterimol/B2: 2.59595  Sterimol/B3: 2.61234
  Sterimol/B4: 3.11139  Sterimol/L: 11.8299 
 
 Surface and Volume Properties
  Accessible surface: 325.855  Positive charged surface: 264.972  Negative charged surface: 60.8833  Volume: 125.125
  Hydrophobic surface: 218.305  Hydrophilic surface: 107.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02823983
PUBCHEM-ZINC01846024