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PUBCHEM-ZINC00684959

 MMsINC code: MMs02727326
Type: Neutral
Formula: C19H15ClN2O5
SMILES:   Clc1ccc(OC(=O)c2ccccc2Oc2nc(OC)cc(OC)n2)cc1
InChI:   InChI=1/C19H15ClN2O5/c1-24-16-11-17(25-2)22-19(21-16)27-15-6-4-3-5-14(15)18(23)26-13-9-7-12(20)8-10-13/h3-11H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.791 g/mol  logS: -6.24382  SlogP: 4.1587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301855  Sterimol/B1: 2.52054  Sterimol/B2: 5.54588  Sterimol/B3: 6.74323
  Sterimol/B4: 8.09446  Sterimol/L: 13.4803 
 
 Surface and Volume Properties
  Accessible surface: 634.847  Positive charged surface: 381.524  Negative charged surface: 253.323  Volume: 340.625
  Hydrophobic surface: 570.733  Hydrophilic surface: 64.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.