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PUBCHEM-ZINC05419754

 MMsINC code: MMs03263444
Type: Neutral
Formula: C24H27N4+
SMILES:   [n+]1(c2c(nc3c1cc(N(C)C)cc3)c(cc(N)c2C)C)-c1ccc(cc1C)C
InChI:   InChI=1/C24H26N4/c1-14-7-10-21(15(2)11-14)28-22-13-18(27(5)6)8-9-20(22)26-23-16(3)12-19(25)17(4)24(23)28/h7-13,25H,1-6H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=225.312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.508 g/mol  logS: -4.79666  SlogP: 4.54658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105409  Sterimol/B1: 2.039  Sterimol/B2: 3.56239  Sterimol/B3: 4.8899
  Sterimol/B4: 11.3715  Sterimol/L: 14.8047 
 
 Surface and Volume Properties
  Accessible surface: 619.571  Positive charged surface: 451.693  Negative charged surface: 167.879  Volume: 382.125
  Hydrophobic surface: 547.615  Hydrophilic surface: 71.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 3
  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: no related molecules available.