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PUBCHEM-ZINC06157737

 MMsINC code: MMs03568760
Type: Neutral
Formula: C26H33N3O2
SMILES:   O=C(Nc1ccc(cc1)/C(=N/NC(=O)c1ccc(cc1)C(C)(C)C)/C)C1CCCCC1
InChI:   InChI=1/C26H33N3O2/c1-18(28-29-25(31)21-10-14-22(15-11-21)26(2,3)4)19-12-16-23(17-13-19)27-24(30)20-8-6-5-7-9-20/h10-17,20H,5-9H2,1-4H3,(H,27,30)(H,29,31)/b28-18-

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Potential Energy
Epot(MMFF94)=148.994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.569 g/mol  logS: -7.9205  SlogP: 5.6569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335842  Sterimol/B1: 2.13916  Sterimol/B2: 3.21204  Sterimol/B3: 3.85518
  Sterimol/B4: 11.7555  Sterimol/L: 19.3474 
 
 Surface and Volume Properties
  Accessible surface: 755.254  Positive charged surface: 493.826  Negative charged surface: 261.428  Volume: 436.5
  Hydrophobic surface: 605.698  Hydrophilic surface: 149.556
 
 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.