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AURORAFEINCHEMIE-ZINC00344357

 MMsINC code: MMs00446688
Type: Neutral
Formula: C14H9NO4
SMILES:   O1C2=C(C(O)=CC1=O)C(=O)N1CCc3c1c2ccc3
InChI:   InChI=1/C14H9NO4/c16-9-6-10(17)19-13-8-3-1-2-7-4-5-15(12(7)8)14(18)11(9)13/h1-3,6,16H,4-5H2

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Potential Energy
Epot(MMFF94)=74.9021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.229 g/mol  logS: -3.42533  SlogP: 1.29907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149892  Sterimol/B1: 2.37807  Sterimol/B2: 2.38705  Sterimol/B3: 2.48035
  Sterimol/B4: 7.02424  Sterimol/L: 12.0301 
 
 Surface and Volume Properties
  Accessible surface: 421.534  Positive charged surface: 259.512  Negative charged surface: 162.023  Volume: 220.375
  Hydrophobic surface: 287.13  Hydrophilic surface: 134.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.