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CHEMDIV-ZINC02364614

 MMsINC code: MMs00874509
Type: Neutral
Formula: C26H20N2O2
SMILES:   O(C)c1ccccc1-c1nc2c(nc1-c1ccccc1OC)cc1c(c2)cccc1
InChI:   InChI=1/C26H20N2O2/c1-29-23-13-7-5-11-19(23)25-26(20-12-6-8-14-24(20)30-2)28-22-16-18-10-4-3-9-17(18)15-21(22)27-25/h3-16H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=162.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.458 g/mol  logS: -7.45308  SlogP: 6.1342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765979  Sterimol/B1: 2.11285  Sterimol/B2: 2.69913  Sterimol/B3: 4.70279
  Sterimol/B4: 11.3671  Sterimol/L: 15.654 
 
 Surface and Volume Properties
  Accessible surface: 658.036  Positive charged surface: 433.327  Negative charged surface: 208.798  Volume: 381.5
  Hydrophobic surface: 618.729  Hydrophilic surface: 39.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.