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ASINEX-ZINC00271190

 MMsINC code: MMs00104582
Type: Neutral
Formula: C20H16N2O2
SMILES:   Oc1ccccc1\C=N\c1ccc(\N=C\c2ccccc2O)cc1
InChI:   InChI=1/C20H16N2O2/c23-19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24/h1-14,23-24H/b21-13+,22-14+

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Potential Energy
Epot(MMFF94)=95.5624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.36 g/mol  logS: -4.51046  SlogP: 4.599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321147  Sterimol/B1: 2.23663  Sterimol/B2: 2.36366  Sterimol/B3: 4.45352
  Sterimol/B4: 5.24093  Sterimol/L: 20.4908 
 
 Surface and Volume Properties
  Accessible surface: 599.446  Positive charged surface: 361.623  Negative charged surface: 237.823  Volume: 311.125
  Hydrophobic surface: 497.912  Hydrophilic surface: 101.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.