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NCID-ZINC01760378

 MMsINC code: MMs02366916
Type: Neutral
Formula: C18H18N2O2
SMILES:   O(C)c1ccc(cc1)-c1n[nH]c(CC)c1-c1ccccc1O
InChI:   InChI=1/C18H18N2O2/c1-3-15-17(14-6-4-5-7-16(14)21)18(20-19-15)12-8-10-13(22-2)11-9-12/h4-11,21H,3H2,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=87.0565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -4.84607  SlogP: 4.02027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127324  Sterimol/B1: 2.68835  Sterimol/B2: 4.50173  Sterimol/B3: 5.3706
  Sterimol/B4: 6.32571  Sterimol/L: 15.0209 
 
 Surface and Volume Properties
  Accessible surface: 529.888  Positive charged surface: 355.464  Negative charged surface: 174.423  Volume: 293.5
  Hydrophobic surface: 410.944  Hydrophilic surface: 118.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.