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ENAMINE-ZINC05577244

 MMsINC code: MMs01624697
Type: Neutral
Formula: C15H10Cl2O5
SMILES:   Clc1cc(Cl)ccc1OCC(Oc1cc2OCOc2cc1)=O
InChI:   InChI=1/C15H10Cl2O5/c16-9-1-3-12(11(17)5-9)19-7-15(18)22-10-2-4-13-14(6-10)21-8-20-13/h1-6H,7-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.0859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.146 g/mol  logS: -4.99944  SlogP: 3.7065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367544  Sterimol/B1: 2.21432  Sterimol/B2: 4.0962  Sterimol/B3: 4.26957
  Sterimol/B4: 4.59504  Sterimol/L: 18.9978 
 
 Surface and Volume Properties
  Accessible surface: 556.923  Positive charged surface: 265.463  Negative charged surface: 291.46  Volume: 276.875
  Hydrophobic surface: 462.499  Hydrophilic surface: 94.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.