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IBS-ZINC04040100

 MMsINC code: MMs01876712
Type: Neutral
Formula: C14H6Cl2O4
SMILES:   Clc1c(Cl)c(O)c2c(c1O)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C14H6Cl2O4/c15-9-10(16)14(20)8-7(13(9)19)11(17)5-3-1-2-4-6(5)12(8)18/h1-4,19-20H

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Potential Energy
Epot(MMFF94)=87.0832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.104 g/mol  logS: -4.62968  SlogP: 3.18  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249861  Sterimol/B1: 2.34798  Sterimol/B2: 3.24453  Sterimol/B3: 3.80341
  Sterimol/B4: 5.25238  Sterimol/L: 13.1699 
 
 Surface and Volume Properties
  Accessible surface: 453.151  Positive charged surface: 194.036  Negative charged surface: 259.114  Volume: 239.375
  Hydrophobic surface: 313.979  Hydrophilic surface: 139.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.