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NCID-ZINC01600524

 MMsINC code: MMs02253662
Type: Neutral
Formula: C8H11FN2O2
SMILES:   FC1=CN(CC)C(=O)N(CC)C1=O
InChI:   InChI=1/C8H11FN2O2/c1-3-10-5-6(9)7(12)11(4-2)8(10)13/h5H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.57764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.186 g/mol  logS: -1.24473  SlogP: 1.2102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10627  Sterimol/B1: 2.28842  Sterimol/B2: 2.61922  Sterimol/B3: 3.45647
  Sterimol/B4: 5.91322  Sterimol/L: 11.0855 
 
 Surface and Volume Properties
  Accessible surface: 361.165  Positive charged surface: 225.239  Negative charged surface: 135.926  Volume: 166.875
  Hydrophobic surface: 257.221  Hydrophilic surface: 103.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.