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PUBCHEM-ZINC05670270

 MMsINC code: MMs03341674
Type: Neutral
Formula: C10H9Cl3O3
SMILES:   Clc1c(OCCCl)c2OCCOc2cc1Cl
InChI:   InChI=1/C10H9Cl3O3/c11-1-2-15-10-8(13)6(12)5-7-9(10)16-4-3-14-7/h5H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.4231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.538 g/mol  logS: -3.91872  SlogP: 3.3822  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0713141  Sterimol/B1: 2.89787  Sterimol/B2: 3.09104  Sterimol/B3: 4.50096
  Sterimol/B4: 6.63564  Sterimol/L: 11.2047 
 
 Surface and Volume Properties
  Accessible surface: 446.587  Positive charged surface: 235.127  Negative charged surface: 211.46  Volume: 221.5
  Hydrophobic surface: 365.304  Hydrophilic surface: 81.283
 
 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.