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PUBCHEM-ZINC05784933

 MMsINC code: MMs03385052
Type: Neutral
Formula: C14H8Cl2O4
SMILES:   Clc1cc2c(cc1Cl)c(O)c1c(c2O)c(O)ccc1O
InChI:   InChI=1/C14H8Cl2O4/c15-7-3-5-6(4-8(7)16)14(20)12-10(18)2-1-9(17)11(12)13(5)19/h1-4,17-20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.5273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.12 g/mol  logS: -5.16142  SlogP: 4.1222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00909641  Sterimol/B1: 2.17506  Sterimol/B2: 2.32155  Sterimol/B3: 3.87648
  Sterimol/B4: 5.26522  Sterimol/L: 13.198 
 
 Surface and Volume Properties
  Accessible surface: 463.123  Positive charged surface: 196.414  Negative charged surface: 244.567  Volume: 238.75
  Hydrophobic surface: 318.543  Hydrophilic surface: 144.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.