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CHEMBRIDGE-ZINC02984984

 MMsINC code: MMs00745682
Type: Neutral
Formula: C16H16Cl2O4
SMILES:   Clc1c(OCCOc2c(OC)cccc2OC)cccc1Cl
InChI:   InChI=1/C16H16Cl2O4/c1-19-13-7-4-8-14(20-2)16(13)22-10-9-21-12-6-3-5-11(17)15(12)18/h3-8H,9-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.206 g/mol  logS: -4.84932  SlogP: 4.4684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359238  Sterimol/B1: 2.15711  Sterimol/B2: 3.04355  Sterimol/B3: 3.5247
  Sterimol/B4: 9.37859  Sterimol/L: 15.89 
 
 Surface and Volume Properties
  Accessible surface: 576.421  Positive charged surface: 361.51  Negative charged surface: 214.911  Volume: 302.25
  Hydrophobic surface: 565.278  Hydrophilic surface: 11.143
 
 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.