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CHEMBRIDGE-ZINC00239703

 MMsINC code: MMs00597540
Type: Neutral
Formula: C19H20N2O2
SMILES:   O(CC)c1ccc(-c2[nH]nc(C)c2-c2ccccc2)c(O)c1C
InChI:   InChI=1/C19H20N2O2/c1-4-23-16-11-10-15(19(22)12(16)2)18-17(13(3)20-21-18)14-8-6-5-7-9-14/h5-11,22H,4H2,1-3H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=81.6202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -5.13198  SlogP: 4.46484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141416  Sterimol/B1: 3.74394  Sterimol/B2: 5.16096  Sterimol/B3: 5.28649
  Sterimol/B4: 5.42868  Sterimol/L: 15.4224 
 
 Surface and Volume Properties
  Accessible surface: 563.738  Positive charged surface: 371.103  Negative charged surface: 192.635  Volume: 311.875
  Hydrophobic surface: 464.677  Hydrophilic surface: 99.061
 
 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.