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PUBCHEM-ZINC00282357

 MMsINC code: MMs02650155
Type: Neutral
Formula: C15H14N2O3
SMILES:   O1c2n(nc(c2C(=CC1=O)C)C)-c1ccc(OC)cc1
InChI:   InChI=1/C15H14N2O3/c1-9-8-13(18)20-15-14(9)10(2)16-17(15)11-4-6-12(19-3)7-5-11/h4-8H,1-3H3

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Potential Energy
Epot(MMFF94)=97.0361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -3.93034  SlogP: 2.51162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252191  Sterimol/B1: 2.83678  Sterimol/B2: 2.90805  Sterimol/B3: 5.12529
  Sterimol/B4: 5.24098  Sterimol/L: 15.5319 
 
 Surface and Volume Properties
  Accessible surface: 490.765  Positive charged surface: 283.823  Negative charged surface: 206.943  Volume: 253
  Hydrophobic surface: 410.389  Hydrophilic surface: 80.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.