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ENAMINE-ZINC05446658

 MMsINC code: MMs01614734
Type: Neutral
Formula: C15H14F2N2O2
SMILES:   FC(F)Oc1c2c(ccc1/C(=N\NC(=O)C)/C)cccc2
InChI:   InChI=1/C15H14F2N2O2/c1-9(18-19-10(2)20)12-8-7-11-5-3-4-6-13(11)14(12)21-15(16)17/h3-8,15H,1-2H3,(H,19,20)/b18-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.285 g/mol  logS: -4.0959  SlogP: 3.7212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271445  Sterimol/B1: 2.12788  Sterimol/B2: 2.57474  Sterimol/B3: 3.05048
  Sterimol/B4: 6.87049  Sterimol/L: 15.1673 
 
 Surface and Volume Properties
  Accessible surface: 482.905  Positive charged surface: 259.656  Negative charged surface: 214.036  Volume: 259.875
  Hydrophobic surface: 375.593  Hydrophilic surface: 107.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.