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PUBCHEM-ZINC00390282

 MMsINC code: MMs02671620
Type: Neutral
Formula: C18H18N2O2
SMILES:   Oc1cc(O)c(cc1-c1n[nH]c(C)c1-c1ccccc1)CC
InChI:   InChI=1/C18H18N2O2/c1-3-12-9-14(16(22)10-15(12)21)18-17(11(2)19-20-18)13-7-5-4-6-8-13/h4-10,21-22H,3H2,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=74.8386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -4.90766  SlogP: 4.02569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144358  Sterimol/B1: 3.30699  Sterimol/B2: 4.12874  Sterimol/B3: 4.57939
  Sterimol/B4: 7.45041  Sterimol/L: 13.1144 
 
 Surface and Volume Properties
  Accessible surface: 520.058  Positive charged surface: 329.431  Negative charged surface: 190.627  Volume: 292.75
  Hydrophobic surface: 355.033  Hydrophilic surface: 165.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.