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ASINEX-ZINC00087865

 MMsINC code: MMs00072683
Type: Neutral
Formula: C14H15NO4
SMILES:   o1nc(C)c(COc2ccc(cc2)C(OC)=O)c1C
InChI:   InChI=1/C14H15NO4/c1-9-13(10(2)19-15-9)8-18-12-6-4-11(5-7-12)14(16)17-3/h4-7H,8H2,1-3H3

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Potential Energy
Epot(MMFF94)=68.7745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.277 g/mol  logS: -2.85802  SlogP: 2.92344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787181  Sterimol/B1: 2.06888  Sterimol/B2: 3.18766  Sterimol/B3: 4.4011
  Sterimol/B4: 7.16359  Sterimol/L: 15.809 
 
 Surface and Volume Properties
  Accessible surface: 508.177  Positive charged surface: 314.231  Negative charged surface: 193.947  Volume: 249.125
  Hydrophobic surface: 432.659  Hydrophilic surface: 75.518
 
 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.