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ASINEX-ZINC00070160

 MMsINC code: MMs00068892
Type: Neutral
Formula: C14H9NO5
SMILES:   O1C(=Nc2c(cc(OC(=O)C)cc2)C1=O)c1occc1
InChI:   InChI=1/C14H9NO5/c1-8(16)19-9-4-5-11-10(7-9)14(17)20-13(15-11)12-3-2-6-18-12/h2-7H,1H3

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Potential Energy
Epot(MMFF94)=61.9183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.228 g/mol  logS: -4.62025  SlogP: 2.4536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169728  Sterimol/B1: 2.81922  Sterimol/B2: 3.03806  Sterimol/B3: 4.35471
  Sterimol/B4: 4.46621  Sterimol/L: 16.4969 
 
 Surface and Volume Properties
  Accessible surface: 484.883  Positive charged surface: 247.545  Negative charged surface: 237.339  Volume: 234.625
  Hydrophobic surface: 355.231  Hydrophilic surface: 129.652
 
 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.