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PUBCHEM-ZINC06520436

 MMsINC code: MMs03778891
Type: Neutral
Formula: C26H32N4O
SMILES:   o1c(-c2ccc(cc2)/C(=N\C(C)C)/N)c(C)c(-c2ccc(cc2)/C(=N\C(C)C)/
N)c1C
InChI:   InChI=1/C26H32N4O/c1-15(2)29-25(27)21-11-7-19(8-12-21)23-17(5)24(31-18(23)6)20-9-13-22(14-10-20)26(28)30-16(3)4/h7-16H,1-6H3,(H2,27,29)(H2,28,30)

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Potential Energy
Epot(MMFF94)=103.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.569 g/mol  logS: -8.28157  SlogP: 5.45784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309673  Sterimol/B1: 3.43997  Sterimol/B2: 3.67004  Sterimol/B3: 3.77956
  Sterimol/B4: 6.81862  Sterimol/L: 24.1833 
 
 Surface and Volume Properties
  Accessible surface: 788.701  Positive charged surface: 515.86  Negative charged surface: 272.842  Volume: 439.375
  Hydrophobic surface: 598.908  Hydrophilic surface: 189.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.