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PUBCHEM-ZINC01982307

 MMsINC code: MMs02837179
Type: Neutral
Formula: C19H14Cl2N2O4
SMILES:   ClC1=C(Nc2ccc(cc2)C(OC)=O)C(=O)N(C1=O)c1cc(Cl)c(cc1)C
InChI:   InChI=1/C19H14Cl2N2O4/c1-10-3-8-13(9-14(10)20)23-17(24)15(21)16(18(23)25)22-12-6-4-11(5-7-12)19(26)27-2/h3-9,22H,1-2H3

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Potential Energy
Epot(MMFF94)=108.65 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.237 g/mol  logS: -6.28662  SlogP: 3.97962  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0497783  Sterimol/B1: 3.02545  Sterimol/B2: 3.742  Sterimol/B3: 3.85718
  Sterimol/B4: 9.00988  Sterimol/L: 17.1302 
 
 Surface and Volume Properties
  Accessible surface: 627.007  Positive charged surface: 308.531  Negative charged surface: 318.477  Volume: 342.875
  Hydrophobic surface: 512.4  Hydrophilic surface: 114.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.