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NCID-ZINC01867030

 MMsINC code: MMs02375443
Type: Neutral
Formula: C28H30N2+2
SMILES:   [NH+]([NH+](Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C28H30N2/c1-5-13-25(14-6-1)21-29(22-26-15-7-2-8-16-26)30(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29-30H,21-24H2/q+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.562 g/mol  logS: -6.04718  SlogP: 4.5376  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.359286  Sterimol/B1: 2.5375  Sterimol/B2: 3.34642  Sterimol/B3: 6.10133
  Sterimol/B4: 9.8971  Sterimol/L: 14.2639 
 
 Surface and Volume Properties
  Accessible surface: 650.035  Positive charged surface: 397.931  Negative charged surface: 252.104  Volume: 433.875
  Hydrophobic surface: 631.741  Hydrophilic surface: 18.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1
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Ions/Tautomers related molecules


MMs02375444
NCID-ZINC01867030