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IBS-ZINC06719638

 MMsINC code: MMs01966775
Type: Neutral
Formula: C17H15NO4
SMILES:   o1nc(C)c(-c2ccccc2OC)c1-c1ccc(O)cc1O
InChI:   InChI=1/C17H15NO4/c1-10-16(13-5-3-4-6-15(13)21-2)17(22-18-10)12-8-7-11(19)9-14(12)20/h3-9,19-20H,1-2H3

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Potential Energy
Epot(MMFF94)=105.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.31 g/mol  logS: -4.49266  SlogP: 3.73682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278967  Sterimol/B1: 2.54204  Sterimol/B2: 4.17533  Sterimol/B3: 5.68954
  Sterimol/B4: 7.7997  Sterimol/L: 11.5151 
 
 Surface and Volume Properties
  Accessible surface: 518.231  Positive charged surface: 331.965  Negative charged surface: 186.266  Volume: 277.75
  Hydrophobic surface: 396.487  Hydrophilic surface: 121.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.