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ENAMINE-ZINC00407288

 MMsINC code: MMs01230055
Type: Neutral
Formula: C19H19NO3
SMILES:   o1nc(C)c(c1-c1cc(CC)c(OC)cc1O)-c1ccccc1
InChI:   InChI=1/C19H19NO3/c1-4-13-10-15(16(21)11-17(13)22-3)19-18(12(2)20-23-19)14-8-6-5-7-9-14/h5-11,21H,4H2,1-3H3

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Potential Energy
Epot(MMFF94)=93.1236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.365 g/mol  logS: -5.5303  SlogP: 4.59359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176295  Sterimol/B1: 2.2273  Sterimol/B2: 3.31255  Sterimol/B3: 6.88096
  Sterimol/B4: 7.22173  Sterimol/L: 14.2045 
 
 Surface and Volume Properties
  Accessible surface: 558.724  Positive charged surface: 371.599  Negative charged surface: 187.125  Volume: 307.5
  Hydrophobic surface: 465.06  Hydrophilic surface: 93.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.