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PUBCHEM-ZINC05472103

 MMsINC code: MMs03279341
Type: Neutral
Formula: C23H17NO4
SMILES:   O=C1N(COC(=O)Cc2ccc(cc2)-c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C23H17NO4/c25-21(14-16-10-12-18(13-11-16)17-6-2-1-3-7-17)28-15-24-22(26)19-8-4-5-9-20(19)23(24)27/h1-13H,14-15H2

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Potential Energy
Epot(MMFF94)=95.0351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.392 g/mol  logS: -6.30415  SlogP: 3.69297  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0390569  Sterimol/B1: 2.73476  Sterimol/B2: 3.96219  Sterimol/B3: 4.23668
  Sterimol/B4: 6.81109  Sterimol/L: 18.3464 
 
 Surface and Volume Properties
  Accessible surface: 636.078  Positive charged surface: 344.048  Negative charged surface: 280.958  Volume: 350.75
  Hydrophobic surface: 532.092  Hydrophilic surface: 103.986
 
 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.