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MDPI-ZINC03845549

 MMsINC code: MMs02178884
Type: Neutral
Formula: C24H19N4+
SMILES:   [nH+]1c2c(cc(-c3ccccc3)c1N)cc1cc(-c3ccccc3)c(nc1c2)N
InChI:   InChI=1/C24H18N4/c25-23-19(15-7-3-1-4-8-15)12-17-11-18-13-20(16-9-5-2-6-10-16)24(26)28-22(18)14-21(17)27-23/h1-14H,(H2,25,27)(H2,26,28)/p+1

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Potential Energy
Epot(MMFF94)=91.131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.444 g/mol  logS: -7.45461  SlogP: 4.7005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390285  Sterimol/B1: 2.097  Sterimol/B2: 3.5863  Sterimol/B3: 3.62614
  Sterimol/B4: 6.70901  Sterimol/L: 19.6651 
 
 Surface and Volume Properties
  Accessible surface: 648.748  Positive charged surface: 397.933  Negative charged surface: 237.927  Volume: 363.875
  Hydrophobic surface: 487.279  Hydrophilic surface: 161.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02178885
MDPI-ZINC03845549