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PUBCHEM-ZINC05852124

 MMsINC code: MMs03417415
Type: Neutral
Formula: C24H24N4O
SMILES:   o1c(ccc1-c1ccc(cc1)/C(=N\CC=C)/N)-c1ccc(cc1)/C(=N/CC=C)/N
InChI:   InChI=1/C24H24N4O/c1-3-15-27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16-4-2/h3-14H,1-2,15-16H2,(H2,25,27)(H2,26,28)

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Potential Energy
Epot(MMFF94)=99.5693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.483 g/mol  logS: -7.46013  SlogP: 4.3962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00902476  Sterimol/B1: 2.57603  Sterimol/B2: 3.90012  Sterimol/B3: 3.91668
  Sterimol/B4: 4.93108  Sterimol/L: 25.5203 
 
 Surface and Volume Properties
  Accessible surface: 734.491  Positive charged surface: 431.262  Negative charged surface: 303.229  Volume: 394.375
  Hydrophobic surface: 491.675  Hydrophilic surface: 242.816
 
 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.