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ENAMINE-ZINC05044579

 MMsINC code: MMs01578550
Type: Neutral
Formula: C20H20N2O2
SMILES:   O(C(=O)c1c(n(nc1C)Cc1ccccc1)C)Cc1ccccc1
InChI:   InChI=1/C20H20N2O2/c1-15-19(20(23)24-14-18-11-7-4-8-12-18)16(2)22(21-15)13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3

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Potential Energy
Epot(MMFF94)=78.1277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.392 g/mol  logS: -4.25924  SlogP: 4.43804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606462  Sterimol/B1: 2.25951  Sterimol/B2: 3.88439  Sterimol/B3: 4.18925
  Sterimol/B4: 7.45896  Sterimol/L: 18.0558 
 
 Surface and Volume Properties
  Accessible surface: 611.65  Positive charged surface: 351.814  Negative charged surface: 259.837  Volume: 326.5
  Hydrophobic surface: 548.918  Hydrophilic surface: 62.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.