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PUBCHEM-ZINC04531125

 MMsINC code: MMs03129852
Type: Neutral
Formula: C19H25NO8
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC)C(NC(=O)c2ccccc2)C1OC
InChI:   InChI=1/C19H25NO8/c1-11(21)26-10-14-16(27-12(2)22)17(24-3)15(19(25-4)28-14)20-18(23)13-8-6-5-7-9-13/h5-9,14-17,19H,10H2,1-4H3,(H,20,23)/t14-,15+,16-,17-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.408 g/mol  logS: -2.81956  SlogP: 0.6661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301374  Sterimol/B1: 2.27788  Sterimol/B2: 3.90512  Sterimol/B3: 6.04641
  Sterimol/B4: 10.0208  Sterimol/L: 15.3767 
 
 Surface and Volume Properties
  Accessible surface: 674.946  Positive charged surface: 461.569  Negative charged surface: 213.378  Volume: 365.625
  Hydrophobic surface: 573.493  Hydrophilic surface: 101.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.