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ASINEX-ZINC00236221

 MMsINC code: MMs00095823
Type: Neutral
Formula: C22H16N2O2
SMILES:   o1c2cc(ccc2nc1-c1cc(ccc1)-c1oc2cc(ccc2n1)C)C
InChI:   InChI=1/C22H16N2O2/c1-13-6-8-17-19(10-13)25-21(23-17)15-4-3-5-16(12-15)22-24-18-9-7-14(2)11-20(18)26-22/h3-12H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.5567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.382 g/mol  logS: -8.96406  SlogP: 5.91984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00264143  Sterimol/B1: 2.51213  Sterimol/B2: 2.51289  Sterimol/B3: 3.62583
  Sterimol/B4: 7.01108  Sterimol/L: 20.3496 
 
 Surface and Volume Properties
  Accessible surface: 629.546  Positive charged surface: 359.086  Negative charged surface: 270.46  Volume: 330.25
  Hydrophobic surface: 552.984  Hydrophilic surface: 76.562
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.