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NCID-ZINC01727467

 MMsINC code: MMs02351045
Type: Neutral
Formula: C16H11NO3
SMILES:   O1C(=N\C(=C/c2cc(O)ccc2)\C1=O)c1ccccc1
InChI:   InChI=1/C16H11NO3/c18-13-8-4-5-11(9-13)10-14-16(19)20-15(17-14)12-6-2-1-3-7-12/h1-10,18H/b14-10+

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Potential Energy
Epot(MMFF94)=83.0741 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: 0.0230192  Sterimol/B1: 2.75498  Sterimol/B2: 2.92179  Sterimol/B3: 4.0564
  Sterimol/B4: 4.11762  Sterimol/L: 16.3275 
 
 Surface and Volume Properties
  Accessible surface: 490.138  Positive charged surface: 269.902  Negative charged surface: 220.236  Volume: 247.875
  Hydrophobic surface: 373.068  Hydrophilic surface: 117.07
 
 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.