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PUBCHEM-ZINC03671532

 MMsINC code: MMs03037583
Type: Neutral
Formula: C18H11Cl2NO4
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(Oc1cc(ccc1)C=O)=O
InChI:   InChI=1/C18H11Cl2NO4/c1-10-15(18(23)24-12-5-2-4-11(8-12)9-22)17(21-25-10)16-13(19)6-3-7-14(16)20/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=100.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.195 g/mol  logS: -6.32855  SlogP: 4.98852  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0957554  Sterimol/B1: 2.38206  Sterimol/B2: 4.13817  Sterimol/B3: 4.94617
  Sterimol/B4: 9.4677  Sterimol/L: 14.4098 
 
 Surface and Volume Properties
  Accessible surface: 568.583  Positive charged surface: 240.367  Negative charged surface: 328.216  Volume: 314.5
  Hydrophobic surface: 465.427  Hydrophilic surface: 103.156
 
 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.