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CHEMBRIDGE-ZINC04845728

 MMsINC code: MMs00802151
Type: Neutral
Formula: C16H11NO3
SMILES:   O1N=C(\C(=C\C=C\c2occc2)\C1=O)c1ccccc1
InChI:   InChI=1/C16H11NO3/c18-16-14(10-4-8-13-9-5-11-19-13)15(17-20-16)12-6-2-1-3-7-12/h1-11H/b8-4+,14-10-

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Potential Energy
Epot(MMFF94)=105.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.268 g/mol  logS: -5.3144  SlogP: 3.1803  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00802766  Sterimol/B1: 2.50826  Sterimol/B2: 2.58259  Sterimol/B3: 2.66624
  Sterimol/B4: 7.02389  Sterimol/L: 16.1643 
 
 Surface and Volume Properties
  Accessible surface: 497.737  Positive charged surface: 224.686  Negative charged surface: 273.052  Volume: 249.75
  Hydrophobic surface: 411.146  Hydrophilic surface: 86.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.