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CHEMBRIDGE-ZINC02984973

 MMsINC code: MMs00745678
Type: Neutral
Formula: C18H20Cl2O4
SMILES:   Clc1c(OCCCCOc2c(OC)cccc2OC)cccc1Cl
InChI:   InChI=1/C18H20Cl2O4/c1-21-15-9-6-10-16(22-2)18(15)24-12-4-3-11-23-14-8-5-7-13(19)17(14)20/h5-10H,3-4,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=102.744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.26 g/mol  logS: -5.25286  SlogP: 5.2486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439725  Sterimol/B1: 2.35141  Sterimol/B2: 3.7404  Sterimol/B3: 5.26453
  Sterimol/B4: 9.50759  Sterimol/L: 19.2995 
 
 Surface and Volume Properties
  Accessible surface: 657.637  Positive charged surface: 416.598  Negative charged surface: 241.039  Volume: 340.5
  Hydrophobic surface: 639.851  Hydrophilic surface: 17.786
 
 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.