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PUBCHEM-ZINC01552539

 MMsINC code: MMs02814300
Type: Neutral
Formula: C19H26N6
SMILES:   N(CCCCCNc1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N
InChI:   InChI=1/C19H26N6/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11,24-25H,1-3,12-13H2,(H3,20,21)(H3,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.7656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.459 g/mol  logS: -4.28321  SlogP: 2.94904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00410475  Sterimol/B1: 2.37506  Sterimol/B2: 2.37608  Sterimol/B3: 3.13361
  Sterimol/B4: 5.32674  Sterimol/L: 23.5543 
 
 Surface and Volume Properties
  Accessible surface: 659.398  Positive charged surface: 439.029  Negative charged surface: 220.369  Volume: 346.5
  Hydrophobic surface: 393.957  Hydrophilic surface: 265.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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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Ions/Tautomers related molecules


MMs02814301
PUBCHEM-ZINC01552539