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ENAMINE-ZINC06553004

 MMsINC code: MMs01672791
Type: Neutral
Formula: C17H14N2O4
SMILES:   o1c(C)c(cc1C)C(=O)n1ncc(c1)C(=O)c1ccccc1O
InChI:   InChI=1/C17H14N2O4/c1-10-7-14(11(2)23-10)17(22)19-9-12(8-18-19)16(21)13-5-3-4-6-15(13)20/h3-9,20H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.309 g/mol  logS: -3.80643  SlogP: 2.71804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551134  Sterimol/B1: 2.04827  Sterimol/B2: 3.68371  Sterimol/B3: 4.04976
  Sterimol/B4: 7.54455  Sterimol/L: 15.937 
 
 Surface and Volume Properties
  Accessible surface: 560.877  Positive charged surface: 305.039  Negative charged surface: 255.839  Volume: 286.625
  Hydrophobic surface: 420.328  Hydrophilic surface: 140.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.