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CHEMBRIDGE-ZINC02984838

 MMsINC code: MMs00745615
Type: Neutral
Formula: C19H22Cl2O4
SMILES:   Clc1cc(Cl)cc(C)c1OCCOCCOc1ccc(OCC)cc1
InChI:   InChI=1/C19H22Cl2O4/c1-3-23-16-4-6-17(7-5-16)24-10-8-22-9-11-25-19-14(2)12-15(20)13-18(19)21/h4-7,12-13H,3,8-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.9271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.287 g/mol  logS: -5.42926  SlogP: 5.17492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447898  Sterimol/B1: 2.84878  Sterimol/B2: 4.22478  Sterimol/B3: 4.76062
  Sterimol/B4: 6.96896  Sterimol/L: 19.7695 
 
 Surface and Volume Properties
  Accessible surface: 686.909  Positive charged surface: 406.718  Negative charged surface: 280.191  Volume: 357.25
  Hydrophobic surface: 646.63  Hydrophilic surface: 40.279
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.