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NCID-ZINC05758121

 MMsINC code: MMs02494428
Type: Neutral
Formula: C19H16N2O3
SMILES:   O(C)c1ccc2c(cccc2)c1\C=N/Nc1ccccc1C(O)=O
InChI:   InChI=1/C19H16N2O3/c1-24-18-11-10-13-6-2-3-7-14(13)16(18)12-20-21-17-9-5-4-8-15(17)19(22)23/h2-12,21H,1H3,(H,22,23)/b20-12-

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Potential Energy
Epot(MMFF94)=113.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.348 g/mol  logS: -4.90457  SlogP: 3.9926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178437  Sterimol/B1: 2.04199  Sterimol/B2: 2.06258  Sterimol/B3: 6.49025
  Sterimol/B4: 7.23021  Sterimol/L: 15.2228 
 
 Surface and Volume Properties
  Accessible surface: 547.517  Positive charged surface: 335.819  Negative charged surface: 202.839  Volume: 304.125
  Hydrophobic surface: 450.486  Hydrophilic surface: 97.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02494429
NCID-ZINC05758121