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PUBCHEM-ZINC06364268

 MMsINC code: MMs03688384
Type: Neutral
Formula: C26H27N3O2
SMILES:   O=C(N\N=C(\C)/c1ccc(cc1)-c1ccccc1)c1ccc(NC(=O)CC(C)C)cc1
InChI:   InChI=1/C26H27N3O2/c1-18(2)17-25(30)27-24-15-13-23(14-16-24)26(31)29-28-19(3)20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-16,18H,17H2,1-3H3,(H,27,30)(H,29,31)/b28-19-

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Potential Energy
Epot(MMFF94)=158.17 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.521 g/mol  logS: -7.71235  SlogP: 5.4922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0380824  Sterimol/B1: 2.852  Sterimol/B2: 3.95793  Sterimol/B3: 6.00203
  Sterimol/B4: 8.96287  Sterimol/L: 17.4698 
 
 Surface and Volume Properties
  Accessible surface: 743.107  Positive charged surface: 427.91  Negative charged surface: 305.755  Volume: 418.5
  Hydrophobic surface: 603.473  Hydrophilic surface: 139.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.