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IBS-ZINC01637955

 MMsINC code: MMs01771601
Type: Neutral
Formula: C16H16N2O2
SMILES:   Oc1ccccc1C(N\N=C(/C)\c1ccccc1O)=C
InChI:   InChI=1/C16H16N2O2/c1-11(13-7-3-5-9-15(13)19)17-18-12(2)14-8-4-6-10-16(14)20/h3-10,17,19-20H,1H2,2H3/b18-12-

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Potential Energy
Epot(MMFF94)=89.7445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.316 g/mol  logS: -3.09499  SlogP: 3.0823  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154966  Sterimol/B1: 2.5125  Sterimol/B2: 3.81733  Sterimol/B3: 4.15701
  Sterimol/B4: 7.67703  Sterimol/L: 12.616 
 
 Surface and Volume Properties
  Accessible surface: 516.68  Positive charged surface: 310.48  Negative charged surface: 206.2  Volume: 266.875
  Hydrophobic surface: 404.914  Hydrophilic surface: 111.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.