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PUBCHEM-ZINC06536318

 MMsINC code: MMs03787210
Type: Neutral
Formula: C24H24N4O
SMILES:   o1cc(cc1-c1ccc(cc1)/C(=N\C1CC1)/N)-c1ccc(cc1)/C(=N\C1CC1)/N
InChI:   InChI=1/C24H24N4O/c25-23(27-20-9-10-20)17-5-1-15(2-6-17)19-13-22(29-14-19)16-3-7-18(8-4-16)24(26)28-21-11-12-21/h1-8,13-14,20-21H,9-12H2,(H2,25,27)(H2,26,28)

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Potential Energy
Epot(MMFF94)=90.0031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.483 g/mol  logS: -7.60363  SlogP: 4.349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00743491  Sterimol/B1: 3.15062  Sterimol/B2: 3.15541  Sterimol/B3: 3.3169
  Sterimol/B4: 7.55291  Sterimol/L: 22.5939 
 
 Surface and Volume Properties
  Accessible surface: 715.935  Positive charged surface: 426.61  Negative charged surface: 289.325  Volume: 392.375
  Hydrophobic surface: 519.48  Hydrophilic surface: 196.455
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.