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MDPI-ZINC03852370

 MMsINC code: MMs02183834
Type: Neutral
Formula: C11H10Cl2O2
SMILES:   Clc1cc(Cl)ccc1\C=C\C(OCC)=O
InChI:   InChI=1/C11H10Cl2O2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3-7H,2H2,1H3/b6-4+

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Potential Energy
Epot(MMFF94)=37.6083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.105 g/mol  logS: -4.06822  SlogP: 3.5697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00914461  Sterimol/B1: 2.37592  Sterimol/B2: 2.37631  Sterimol/B3: 3.3438
  Sterimol/B4: 5.72246  Sterimol/L: 15.9138 
 
 Surface and Volume Properties
  Accessible surface: 456.819  Positive charged surface: 197.883  Negative charged surface: 258.935  Volume: 215
  Hydrophobic surface: 389.949  Hydrophilic surface: 66.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.