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ENAMINE-ZINC03357858

 MMsINC code: MMs01393970
Type: Neutral
Formula: C19H19N3O4
SMILES:   O(C)c1ccccc1NC(=O)C1C(NC(=O)NC1=C)c1cc(O)ccc1
InChI:   InChI=1/C19H19N3O4/c1-11-16(18(24)21-14-8-3-4-9-15(14)26-2)17(22-19(25)20-11)12-6-5-7-13(23)10-12/h3-10,16-17,23H,1H2,2H3,(H,21,24)(H2,20,22,25)/t16-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.5072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.378 g/mol  logS: -3.52419  SlogP: 2.6188  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106324  Sterimol/B1: 2.63932  Sterimol/B2: 3.27521  Sterimol/B3: 6.312
  Sterimol/B4: 7.23656  Sterimol/L: 16.1354 
 
 Surface and Volume Properties
  Accessible surface: 599.297  Positive charged surface: 385.795  Negative charged surface: 213.502  Volume: 327.125
  Hydrophobic surface: 411.179  Hydrophilic surface: 188.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.