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ENAMINE-ZINC03363949

 MMsINC code: MMs01397535
Type: Neutral
Formula: C19H16N2O2
SMILES:   Oc1nc2c(cccc2)c(c1)C(=O)N1CCc2c(C1)cccc2
InChI:   InChI=1/C19H16N2O2/c22-18-11-16(15-7-3-4-8-17(15)20-18)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H,20,22)

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Potential Energy
Epot(MMFF94)=76.9355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.349 g/mol  logS: -3.91464  SlogP: 3.40527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178624  Sterimol/B1: 2.12623  Sterimol/B2: 4.93864  Sterimol/B3: 4.98284
  Sterimol/B4: 5.8167  Sterimol/L: 14.0734 
 
 Surface and Volume Properties
  Accessible surface: 532.773  Positive charged surface: 309.135  Negative charged surface: 218.103  Volume: 291.375
  Hydrophobic surface: 422.127  Hydrophilic surface: 110.646
 
 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.