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MAYBRIDGE-ZINC03126481

 MMsINC code: MMs02160803
Type: Neutral
Formula: C19H13NO
SMILES:   O=C/1c2c(N\C\1=C/c1c3c(ccc1)cccc3)cccc2
InChI:   InChI=1/C19H13NO/c21-19-16-10-3-4-11-17(16)20-18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12,20H/b18-12-

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Potential Energy
Epot(MMFF94)=110.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.319 g/mol  logS: -5.85224  SlogP: 4.4891  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0226745  Sterimol/B1: 2.14091  Sterimol/B2: 3.44939  Sterimol/B3: 3.77625
  Sterimol/B4: 5.64817  Sterimol/L: 15.9736 
 
 Surface and Volume Properties
  Accessible surface: 496.948  Positive charged surface: 257.407  Negative charged surface: 229.707  Volume: 268.125
  Hydrophobic surface: 442.424  Hydrophilic surface: 54.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.