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CHEMDIV-ZINC04095296

 MMsINC code: MMs00925694
Type: Neutral
Formula: C21H12N2O4
SMILES:   O=C1N(C(=O)c2c3c1ccc1c3c(cc2)C(=O)NC1=O)c1ccc(cc1)C
InChI:   InChI=1/C21H12N2O4/c1-10-2-4-11(5-3-10)23-20(26)14-8-6-12-16-13(19(25)22-18(12)24)7-9-15(17(14)16)21(23)27/h2-9H,1H3,(H,22,24,25)

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Potential Energy
Epot(MMFF94)=98.0753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.337 g/mol  logS: -6.76623  SlogP: 2.83242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379038  Sterimol/B1: 3.62289  Sterimol/B2: 3.62361  Sterimol/B3: 4.83861
  Sterimol/B4: 4.842  Sterimol/L: 16.9726 
 
 Surface and Volume Properties
  Accessible surface: 549.684  Positive charged surface: 288.237  Negative charged surface: 251.433  Volume: 311.125
  Hydrophobic surface: 371.278  Hydrophilic surface: 178.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.