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NCID-ZINC01571637

 MMsINC code: MMs02231660
Type: Neutral
Formula: C7H14FNO2
SMILES:   FCCNC(OCC(C)C)=O
InChI:   InChI=1/C7H14FNO2/c1-6(2)5-11-7(10)9-4-3-8/h6H,3-5H2,1-2H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.44661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.192 g/mol  logS: -0.89437  SlogP: 1.3381  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.047041  Sterimol/B1: 2.07726  Sterimol/B2: 2.54497  Sterimol/B3: 3.34232
  Sterimol/B4: 4.74987  Sterimol/L: 13.5178 
 
 Surface and Volume Properties
  Accessible surface: 388.897  Positive charged surface: 280.089  Negative charged surface: 108.808  Volume: 161.625
  Hydrophobic surface: 245.996  Hydrophilic surface: 142.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.