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PUBCHEM-ZINC05611256

 MMsINC code: MMs03323653
Type: Neutral
Formula: C22H15NO4
SMILES:   O=C1N(COC(=O)c2ccc(cc2)-c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C22H15NO4/c24-20-18-8-4-5-9-19(18)21(25)23(20)14-27-22(26)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2

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Potential Energy
Epot(MMFF94)=95.5956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.365 g/mol  logS: -6.24268  SlogP: 3.7641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769213  Sterimol/B1: 2.99545  Sterimol/B2: 4.07465  Sterimol/B3: 4.94354
  Sterimol/B4: 5.55588  Sterimol/L: 18.7208 
 
 Surface and Volume Properties
  Accessible surface: 612.815  Positive charged surface: 310.275  Negative charged surface: 291.468  Volume: 329.625
  Hydrophobic surface: 506.576  Hydrophilic surface: 106.239
 
 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.