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ENAMINE-ZINC03216920

 MMsINC code: MMs01310682
Type: Neutral
Formula: C19H12F3NO3
SMILES:   FC(F)(F)C1(O)c2c3c(ccc2N(C1=O)c1ccc(O)cc1)cccc3
InChI:   InChI=1/C19H12F3NO3/c20-19(21,22)18(26)16-14-4-2-1-3-11(14)5-10-15(16)23(17(18)25)12-6-8-13(24)9-7-12/h1-10,24,26H/t18-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.303 g/mol  logS: -5.82362  SlogP: 4.705  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0691963  Sterimol/B1: 3.28973  Sterimol/B2: 3.31249  Sterimol/B3: 3.60233
  Sterimol/B4: 7.14467  Sterimol/L: 15.5667 
 
 Surface and Volume Properties
  Accessible surface: 531.587  Positive charged surface: 241.451  Negative charged surface: 279.909  Volume: 295.25
  Hydrophobic surface: 338.376  Hydrophilic surface: 193.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.