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ENAMINE-ZINC05044613

 MMsINC code: MMs01578584
Type: Neutral
Formula: C20H23NO6
SMILES:   O(CC(=O)c1c(C(OCC)=O)c([nH]c1C)C)c1ccc(cc1)C(OCC)=O
InChI:   InChI=1/C20H23NO6/c1-5-25-19(23)14-7-9-15(10-8-14)27-11-16(22)17-12(3)21-13(4)18(17)20(24)26-6-2/h7-10,21H,5-6,11H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.9038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.405 g/mol  logS: -4.02239  SlogP: 3.24664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101342  Sterimol/B1: 2.20447  Sterimol/B2: 5.84278  Sterimol/B3: 6.88586
  Sterimol/B4: 7.10892  Sterimol/L: 18.6183 
 
 Surface and Volume Properties
  Accessible surface: 704.752  Positive charged surface: 434.137  Negative charged surface: 270.615  Volume: 360.25
  Hydrophobic surface: 518.042  Hydrophilic surface: 186.71
 
 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.