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NCID-ZINC05515886

 MMsINC code: MMs02469466
Type: Neutral
Formula: C16H11NO3
SMILES:   O1C(=N\C(=C\c2ccccc2O)\C1=O)c1ccccc1
InChI:   InChI=1/C16H11NO3/c18-14-9-5-4-8-12(14)10-13-16(19)20-15(17-13)11-6-2-1-3-7-11/h1-10,18H/b13-10-

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Potential Energy
Epot(MMFF94)=84.5469 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: 0.0069422  Sterimol/B1: 2.27602  Sterimol/B2: 2.58895  Sterimol/B3: 3.31209
  Sterimol/B4: 7.08472  Sterimol/L: 14.7532 
 
 Surface and Volume Properties
  Accessible surface: 483.755  Positive charged surface: 253.949  Negative charged surface: 229.806  Volume: 247.125
  Hydrophobic surface: 358.298  Hydrophilic surface: 125.457
 
 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.