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PUBCHEM-ZINC01663413

 MMsINC code: MMs02818401
Type: Neutral
Formula: C19H13NO4
SMILES:   Oc1ccc2n(c3c(c2c1C(=O)C)C(=O)c1c(cccc1)C3=O)C
InChI:   InChI=1/C19H13NO4/c1-9(21)14-13(22)8-7-12-15(14)16-17(20(12)2)19(24)11-6-4-3-5-10(11)18(16)23/h3-8,22H,1-2H3

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Potential Energy
Epot(MMFF94)=88.0711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.316 g/mol  logS: -4.17215  SlogP: 3.2211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273456  Sterimol/B1: 2.18149  Sterimol/B2: 2.49996  Sterimol/B3: 4.06227
  Sterimol/B4: 8.7662  Sterimol/L: 14.3289 
 
 Surface and Volume Properties
  Accessible surface: 503.385  Positive charged surface: 286.754  Negative charged surface: 212.908  Volume: 290.875
  Hydrophobic surface: 379.3  Hydrophilic surface: 124.085
 
 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.