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PUBCHEM-ZINC05515876

 MMsINC code: MMs03294872
Type: Neutral
Formula: C16H11NO3
SMILES:   O1C(=N\C(=C\c2ccc(O)cc2)\C1=O)c1ccccc1
InChI:   InChI=1/C16H11NO3/c18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12/h1-10,18H/b14-10-

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Potential Energy
Epot(MMFF94)=83.7346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.268 g/mol  logS: -4.69506  SlogP: 2.7367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00166445  Sterimol/B1: 2.21536  Sterimol/B2: 2.23728  Sterimol/B3: 3.01501
  Sterimol/B4: 7.59423  Sterimol/L: 14.8899 
 
 Surface and Volume Properties
  Accessible surface: 485.784  Positive charged surface: 248.038  Negative charged surface: 237.745  Volume: 246.125
  Hydrophobic surface: 356.295  Hydrophilic surface: 129.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.