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CHEMBLOCK-ZINC01055284

 MMsINC code: MMs00511194
Type: Tautomer
Formula: C24H18N2
SMILES:   n1c2c(cc/3c1-c1cc(ccc1\C\3=N/c1ccccc1)C)cccc2C
InChI:   InChI=1/C24H18N2/c1-15-11-12-19-20(13-15)24-21(23(19)25-18-9-4-3-5-10-18)14-17-8-6-7-16(2)22(17)26-24/h3-14H,1-2H3/b25-23+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.422 g/mol  logS: -7.34893  SlogP: 6.00114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389943  Sterimol/B1: 1.969  Sterimol/B2: 3.30759  Sterimol/B3: 3.84407
  Sterimol/B4: 9.76378  Sterimol/L: 16.3872 
 
 Surface and Volume Properties
  Accessible surface: 595.724  Positive charged surface: 343.917  Negative charged surface: 240.927  Volume: 340.5
  Hydrophobic surface: 564.134  Hydrophilic surface: 31.59
 
 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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Parent related molecule:


MMs00511193
CHEMBLOCK-ZINC01055284