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CHEMBRIDGE-ZINC02840883

 MMsINC code: MMs00724405
Type: Neutral
Formula: C24H19NO6
SMILES:   O1c2c(-c3c(cccc3)C1=O)ccc(OCC(=O)Nc1cc3OCCOc3cc1)c2C
InChI:   InChI=1/C24H19NO6/c1-14-19(9-7-17-16-4-2-3-5-18(16)24(27)31-23(14)17)30-13-22(26)25-15-6-8-20-21(12-15)29-11-10-28-20/h2-9,12H,10-11,13H2,1H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.417 g/mol  logS: -7.14844  SlogP: 3.98332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141709  Sterimol/B1: 2.13979  Sterimol/B2: 3.06038  Sterimol/B3: 3.57212
  Sterimol/B4: 7.2331  Sterimol/L: 22.744 
 
 Surface and Volume Properties
  Accessible surface: 682.069  Positive charged surface: 425.482  Negative charged surface: 246.893  Volume: 377
  Hydrophobic surface: 560.711  Hydrophilic surface: 121.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.