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PUBCHEM-ZINC06582806

 MMsINC code: MMs03808406
Type: Neutral
Formula: C15H8N2O3
SMILES:   Oc1c2N=C3N(c4c(cccc4)C3=O)C(=O)c2ccc1
InChI:   InChI=1/C15H8N2O3/c18-11-7-3-5-9-12(11)16-14-13(19)8-4-1-2-6-10(8)17(14)15(9)20/h1-7,18H

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Potential Energy
Epot(MMFF94)=81.9348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.24 g/mol  logS: -4.00112  SlogP: 2.2789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00203127  Sterimol/B1: 2.13225  Sterimol/B2: 2.21633  Sterimol/B3: 4.26471
  Sterimol/B4: 4.89071  Sterimol/L: 14.2365 
 
 Surface and Volume Properties
  Accessible surface: 447.754  Positive charged surface: 236.289  Negative charged surface: 211.465  Volume: 229.625
  Hydrophobic surface: 296.436  Hydrophilic surface: 151.318
 
 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.