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PUBCHEM-ZINC02003574

 MMsINC code: MMs02844949
Type: Neutral
Formula: C17H23Cl3O5
SMILES:   Clc1cc(Cl)c(Cl)cc1OC(C(OCCOCCOC(CC)C)=O)C
InChI:   InChI=1/C17H23Cl3O5/c1-4-11(2)23-7-5-22-6-8-24-17(21)12(3)25-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3/t11-,12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.1129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.725 g/mol  logS: -5.51498  SlogP: 4.789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612207  Sterimol/B1: 4.4697  Sterimol/B2: 4.63441  Sterimol/B3: 5.22779
  Sterimol/B4: 5.59394  Sterimol/L: 20.7362 
 
 Surface and Volume Properties
  Accessible surface: 717.787  Positive charged surface: 404.863  Negative charged surface: 312.924  Volume: 366.75
  Hydrophobic surface: 611.805  Hydrophilic surface: 105.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.