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CHEMSTAR-ZINC04118856

 MMsINC code: MMs01106275
Type: Neutral
Formula: C18H12I2N2O4
SMILES:   Ic1cc(I)cc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccccc1
InChI:   InChI=1/C18H12I2N2O4/c19-12-6-11(7-13-16(23)21-18(25)22-17(13)24)15(14(20)8-12)26-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,21,22,23,24,25)

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Potential Energy
Epot(MMFF94)=48.013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 574.112 g/mol  logS: -6.61242  SlogP: 3.4906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581602  Sterimol/B1: 2.98683  Sterimol/B2: 3.62099  Sterimol/B3: 3.69806
  Sterimol/B4: 8.59797  Sterimol/L: 14.7639 
 
 Surface and Volume Properties
  Accessible surface: 610.585  Positive charged surface: 237.583  Negative charged surface: 373.001  Volume: 353.75
  Hydrophobic surface: 422.811  Hydrophilic surface: 187.774
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.