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ASINEX-ZINC04763943

 MMsINC code: MMs00370142
Type: Neutral
Formula: C24H18N2
SMILES:   n1c2-c3c(cc(cc3C)C)\C(=N\c3ccccc3)\c2cc2c1cccc2
InChI:   InChI=1/C24H18N2/c1-15-12-16(2)22-19(13-15)23(25-18-9-4-3-5-10-18)20-14-17-8-6-7-11-21(17)26-24(20)22/h3-14H,1-2H3/b25-23+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.422 g/mol  logS: -7.66238  SlogP: 6.00114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041502  Sterimol/B1: 3.28218  Sterimol/B2: 3.39385  Sterimol/B3: 3.87774
  Sterimol/B4: 7.34661  Sterimol/L: 16.2391 
 
 Surface and Volume Properties
  Accessible surface: 578.387  Positive charged surface: 340.591  Negative charged surface: 227.314  Volume: 339.875
  Hydrophobic surface: 547.261  Hydrophilic surface: 31.126
 
 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.