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CHEMBLOCK-ZINC04474226

 MMsINC code: MMs00552555
Type: Neutral
Formula: C24H18N2
SMILES:   n1cc(cc\2c1-c1c(cccc1C)/C/2=N/c1c2c(ccc1)cccc2)C
InChI:   InChI=1/C24H18N2/c1-15-13-20-23(19-11-5-7-16(2)22(19)24(20)25-14-15)26-21-12-6-9-17-8-3-4-10-18(17)21/h3-14H,1-2H3/b26-23-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.422 g/mol  logS: -7.38013  SlogP: 6.00114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0960509  Sterimol/B1: 3.19032  Sterimol/B2: 4.71352  Sterimol/B3: 5.86667
  Sterimol/B4: 5.93236  Sterimol/L: 15.0672 
 
 Surface and Volume Properties
  Accessible surface: 585.137  Positive charged surface: 348.678  Negative charged surface: 222.797  Volume: 339.25
  Hydrophobic surface: 564.433  Hydrophilic surface: 20.704
 
 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.