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NCID-ZINC01707589

 MMsINC code: MMs02335762
Type: Neutral
Formula: C14H9NO3
SMILES:   O1\C(=N/c2c3c(cccc3)c(O)cc2)\C=CC1=O
InChI:   InChI=1/C14H9NO3/c16-12-6-5-11(9-3-1-2-4-10(9)12)15-13-7-8-14(17)18-13/h1-8,16H/b15-13-

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Potential Energy
Epot(MMFF94)=43.0142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.23 g/mol  logS: -4.79545  SlogP: 2.6884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474973  Sterimol/B1: 2.5587  Sterimol/B2: 2.90779  Sterimol/B3: 3.51559
  Sterimol/B4: 7.29517  Sterimol/L: 13.0847 
 
 Surface and Volume Properties
  Accessible surface: 433.437  Positive charged surface: 219.87  Negative charged surface: 205.351  Volume: 217.375
  Hydrophobic surface: 310.264  Hydrophilic surface: 123.173
 
 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.