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NCID-ZINC01597122

 MMsINC code: MMs02251045
Type: Neutral
Formula: C12H15Cl3O3
SMILES:   Clc1cc(Cl)cc(Cl)c1OCCOCCOCC
InChI:   InChI=1/C12H15Cl3O3/c1-2-16-3-4-17-5-6-18-12-10(14)7-9(13)8-11(12)15/h7-8H,2-6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.0159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.608 g/mol  logS: -4.25062  SlogP: 4.0787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467437  Sterimol/B1: 2.34797  Sterimol/B2: 2.60197  Sterimol/B3: 3.93599
  Sterimol/B4: 6.48969  Sterimol/L: 15.7075 
 
 Surface and Volume Properties
  Accessible surface: 549.408  Positive charged surface: 305.624  Negative charged surface: 243.784  Volume: 271.125
  Hydrophobic surface: 515.48  Hydrophilic surface: 33.928
 
 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.