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NCID-ZINC05517358

 MMsINC code: MMs02469467
Type: Neutral
Formula: C15H7NO3
SMILES:   o1nc2c3c(ccc2c1)C(=O)c1c(cccc1)C3=O
InChI:   InChI=1/C15H7NO3/c17-14-9-3-1-2-4-10(9)15(18)12-11(14)6-5-8-7-19-16-13(8)12/h1-7H

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Potential Energy
Epot(MMFF94)=86.1612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.225 g/mol  logS: -4.37803  SlogP: 2.6032  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.38365e-06  Sterimol/B1: 2.09883  Sterimol/B2: 2.1116  Sterimol/B3: 4.11475
  Sterimol/B4: 4.65147  Sterimol/L: 13.6728 
 
 Surface and Volume Properties
  Accessible surface: 421.917  Positive charged surface: 187.354  Negative charged surface: 228.752  Volume: 217.125
  Hydrophobic surface: 322.106  Hydrophilic surface: 99.811
 
 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.