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ASINEX-ZINC03018954

 MMsINC code: MMs00283675
Type: Neutral
Formula: C26H34N2+2
SMILES:   [N+]=1(c2c(cccc2)C(C)(C)C=1C)CCCC[N+]=1c2c(cccc2)C(C)(C)C=1C
InChI:   InChI=1/C26H34N2/c1-19-25(3,4)21-13-7-9-15-23(21)27(19)17-11-12-18-28-20(2)26(5,6)22-14-8-10-16-24(22)28/h7-10,13-16H,11-12,17-18H2,1-6H3/q+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.572 g/mol  logS: -5.42282  SlogP: 5.9592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790972  Sterimol/B1: 2.33415  Sterimol/B2: 2.36523  Sterimol/B3: 5.44176
  Sterimol/B4: 7.83973  Sterimol/L: 17.4118 
 
 Surface and Volume Properties
  Accessible surface: 687.506  Positive charged surface: 457.159  Negative charged surface: 230.347  Volume: 413.375
  Hydrophobic surface: 613.634  Hydrophilic surface: 73.872
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.