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PUBCHEM-ZINC00226346

 MMsINC code: MMs02642402
Type: Neutral
Formula: C15H12N2O3
SMILES:   O(C)c1cc(ccc1)C1=Nc2c(cccc2)C(=O)N1O
InChI:   InChI=1/C15H12N2O3/c1-20-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17(14)19/h2-9,19H,1H3

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Potential Energy
Epot(MMFF94)=90.1624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.272 g/mol  logS: -3.81312  SlogP: 2.6185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188047  Sterimol/B1: 2.11548  Sterimol/B2: 2.83165  Sterimol/B3: 3.15384
  Sterimol/B4: 6.51964  Sterimol/L: 15.0058 
 
 Surface and Volume Properties
  Accessible surface: 477.991  Positive charged surface: 299.451  Negative charged surface: 178.54  Volume: 245.625
  Hydrophobic surface: 379.927  Hydrophilic surface: 98.064
 
 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.