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ACROSORGANICS-ZINC00039943

 MMsINC code: MMs00002985
Type: Neutral
Formula: C10H4Cl2O4
SMILES:   ClC1=C(Cl)C(=O)c2c(C1=O)c(O)ccc2O
InChI:   InChI=1/C10H4Cl2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,13-14H

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Potential Energy
Epot(MMFF94)=60.6427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.044 g/mol  logS: -3.58712  SlogP: 2.3838  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0114705  Sterimol/B1: 2.15574  Sterimol/B2: 2.27133  Sterimol/B3: 3.83611
  Sterimol/B4: 5.20628  Sterimol/L: 10.9419 
 
 Surface and Volume Properties
  Accessible surface: 387.039  Positive charged surface: 155.531  Negative charged surface: 231.508  Volume: 192
  Hydrophobic surface: 238.599  Hydrophilic surface: 148.44
 
 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.