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ASINEX-ZINC00821044

 MMsINC code: MMs00181045
Type: Tautomer
Formula: C24H24N4
SMILES:   n1c2cc(\N=C/c3ccc(N(C)C)cc3)ccc2n(Cc2ccccc2)c1C
InChI:   InChI=1/C24H24N4/c1-18-26-23-15-21(25-16-19-9-12-22(13-10-19)27(2)3)11-14-24(23)28(18)17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3/b25-16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.484 g/mol  logS: -5.31093  SlogP: 5.47602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138215  Sterimol/B1: 2.42842  Sterimol/B2: 3.29094  Sterimol/B3: 6.98792
  Sterimol/B4: 7.6126  Sterimol/L: 17.2341 
 
 Surface and Volume Properties
  Accessible surface: 652.24  Positive charged surface: 442.516  Negative charged surface: 209.725  Volume: 380
  Hydrophobic surface: 582.985  Hydrophilic surface: 69.255
 
 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: 1
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Parent related molecule:


MMs00181042
ASINEX-ZINC00821044