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ENAMINE-ZINC03442195

 MMsINC code: MMs01444864
Type: Neutral
Formula: C16H14N2O2
SMILES:   O1C(=N\C(=C/2\N(C=CC=C\2)C)\C1=O)c1ccccc1C
InChI:   InChI=1/C16H14N2O2/c1-11-7-3-4-8-12(11)15-17-14(16(19)20-15)13-9-5-6-10-18(13)2/h3-10H,1-2H3/b14-13-

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Potential Energy
Epot(MMFF94)=109.164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.3 g/mol  logS: -4.6537  SlogP: 2.52532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105549  Sterimol/B1: 2.08675  Sterimol/B2: 2.46667  Sterimol/B3: 2.82719
  Sterimol/B4: 6.84884  Sterimol/L: 15.1329 
 
 Surface and Volume Properties
  Accessible surface: 467.668  Positive charged surface: 275.009  Negative charged surface: 192.659  Volume: 256.625
  Hydrophobic surface: 402.026  Hydrophilic surface: 65.642
 
 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.