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CHEMBRIDGE-ZINC05006335

 MMsINC code: MMs00825228
Type: Neutral
Formula: C16H12N2O3
SMILES:   Oc1ccccc1\C=C/1\C(=O)N(NC\1=O)c1ccccc1
InChI:   InChI=1/C16H12N2O3/c19-14-9-5-4-6-11(14)10-13-15(20)17-18(16(13)21)12-7-2-1-3-8-12/h1-10,19H,(H,17,20)/b13-10-

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Potential Energy
Epot(MMFF94)=92.4483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.283 g/mol  logS: -3.83567  SlogP: 1.8536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337246  Sterimol/B1: 2.84675  Sterimol/B2: 3.12197  Sterimol/B3: 3.37545
  Sterimol/B4: 7.16378  Sterimol/L: 14.4978 
 
 Surface and Volume Properties
  Accessible surface: 489.403  Positive charged surface: 264.876  Negative charged surface: 224.528  Volume: 258.75
  Hydrophobic surface: 356.16  Hydrophilic surface: 133.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.