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CHEMBRIDGE-ZINC02904349

 MMsINC code: MMs00739931
Type: Neutral
Formula: C16H16Cl2O3
SMILES:   Clc1c(OCCCOc2cc(OC)ccc2)cccc1Cl
InChI:   InChI=1/C16H16Cl2O3/c1-19-12-5-2-6-13(11-12)20-9-4-10-21-15-8-3-7-14(17)16(15)18/h2-3,5-8,11H,4,9-10H2,1H3

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Potential Energy
Epot(MMFF94)=77.0185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.207 g/mol  logS: -5.00071  SlogP: 4.8499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00707201  Sterimol/B1: 2.37539  Sterimol/B2: 2.37751  Sterimol/B3: 4.5523
  Sterimol/B4: 4.644  Sterimol/L: 20.2464 
 
 Surface and Volume Properties
  Accessible surface: 593.912  Positive charged surface: 332.414  Negative charged surface: 261.499  Volume: 296.875
  Hydrophobic surface: 575.608  Hydrophilic surface: 18.304
 
 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.