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ASINEX-ZINC00072796

 MMsINC code: MMs00069397
Type: Neutral
Formula: C19H15NO4
SMILES:   o1nc(-c2ccccc2)c(C(OCC(=O)c2ccccc2)=O)c1C
InChI:   InChI=1/C19H15NO4/c1-13-17(18(20-24-13)15-10-6-3-7-11-15)19(22)23-12-16(21)14-8-4-2-5-9-14/h2-11H,12H2,1H3

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Potential Energy
Epot(MMFF94)=87.6573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.332 g/mol  logS: -5.22078  SlogP: 3.68972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662758  Sterimol/B1: 2.27183  Sterimol/B2: 3.85041  Sterimol/B3: 3.86269
  Sterimol/B4: 10.2511  Sterimol/L: 15.9207 
 
 Surface and Volume Properties
  Accessible surface: 578.177  Positive charged surface: 281.585  Negative charged surface: 296.592  Volume: 304.75
  Hydrophobic surface: 484.845  Hydrophilic surface: 93.332
 
 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.