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ASINEX-ZINC03881730

 MMsINC code: MMs00291621
Type: Neutral
Formula: C11H7NO4
SMILES:   O1c2c(OC1)cc1NC(=O)C(=Cc1c2)C=O
InChI:   InChI=1/C11H7NO4/c13-4-7-1-6-2-9-10(16-5-15-9)3-8(6)12-11(7)14/h1-4H,5H2,(H,12,14)

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Potential Energy
Epot(MMFF94)=47.3637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.18 g/mol  logS: -2.21243  SlogP: 0.9497  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0100786  Sterimol/B1: 2.23955  Sterimol/B2: 2.75239  Sterimol/B3: 2.78264
  Sterimol/B4: 5.11625  Sterimol/L: 13.4277 
 
 Surface and Volume Properties
  Accessible surface: 379.209  Positive charged surface: 238.616  Negative charged surface: 140.593  Volume: 182.5
  Hydrophobic surface: 199.831  Hydrophilic surface: 179.378
 
 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.