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ENAMINE-ZINC03468065

 MMsINC code: MMs01460363
Type: Neutral
Formula: C16H19NO7
SMILES:   O1CCOC=C1C(OCC(=O)NCc1cc(OC)c(OC)cc1)=O
InChI:   InChI=1/C16H19NO7/c1-20-12-4-3-11(7-13(12)21-2)8-17-15(18)10-24-16(19)14-9-22-5-6-23-14/h3-4,7,9H,5-6,8,10H2,1-2H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.4721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.328 g/mol  logS: -2.56862  SlogP: 1.0178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036975  Sterimol/B1: 2.21225  Sterimol/B2: 3.05457  Sterimol/B3: 4.37671
  Sterimol/B4: 7.3044  Sterimol/L: 20.2927 
 
 Surface and Volume Properties
  Accessible surface: 623.945  Positive charged surface: 465.479  Negative charged surface: 158.466  Volume: 305.875
  Hydrophobic surface: 481.766  Hydrophilic surface: 142.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.