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IBS-ZINC00134249

 MMsINC code: MMs01730501
Type: Neutral
Formula: C15H12N2O3
SMILES:   O(c1cn[nH]c1-c1ccc(O)cc1O)c1ccccc1
InChI:   InChI=1/C15H12N2O3/c18-10-6-7-12(13(19)8-10)15-14(9-16-17-15)20-11-4-2-1-3-5-11/h1-9,18-19H,(H,16,17)

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Potential Energy
Epot(MMFF94)=71.2273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.272 g/mol  logS: -3.27491  SlogP: 3.2802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138839  Sterimol/B1: 3.0443  Sterimol/B2: 3.63728  Sterimol/B3: 4.16062
  Sterimol/B4: 6.13064  Sterimol/L: 14.6835 
 
 Surface and Volume Properties
  Accessible surface: 494.069  Positive charged surface: 305.83  Negative charged surface: 188.239  Volume: 248.625
  Hydrophobic surface: 345.723  Hydrophilic surface: 148.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.