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ENAMINE-ZINC03418491

 MMsINC code: MMs01430450
Type: Neutral
Formula: C15H10N2O4
SMILES:   o1cccc1C(=O)n1ncc(c1)C(=O)c1ccccc1O
InChI:   InChI=1/C15H10N2O4/c18-12-5-2-1-4-11(12)14(19)10-8-16-17(9-10)15(20)13-6-3-7-21-13/h1-9,18H

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Potential Energy
Epot(MMFF94)=87.7078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.255 g/mol  logS: -3.33257  SlogP: 2.1012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655156  Sterimol/B1: 2.4151  Sterimol/B2: 3.91003  Sterimol/B3: 4.96356
  Sterimol/B4: 5.32308  Sterimol/L: 16.0079 
 
 Surface and Volume Properties
  Accessible surface: 502.233  Positive charged surface: 255.781  Negative charged surface: 246.453  Volume: 253.125
  Hydrophobic surface: 355.598  Hydrophilic surface: 146.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.