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PUBCHEM-ZINC01437943

 MMsINC code: MMs02805670
Type: Neutral
Formula: C23H24N4O
SMILES:   O(c1cc(C(N)=N)c(cc1)C(N)=N)c1ccc(cc1)C(C)(C)c1ccccc1
InChI:   InChI=1/C23H24N4O/c1-23(2,15-6-4-3-5-7-15)16-8-10-17(11-9-16)28-18-12-13-19(21(24)25)20(14-18)22(26)27/h3-14H,1-2H3,(H3,24,25)(H3,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.472 g/mol  logS: -7.22017  SlogP: 4.37294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878861  Sterimol/B1: 2.01159  Sterimol/B2: 3.31232  Sterimol/B3: 6.23067
  Sterimol/B4: 6.73953  Sterimol/L: 18.2311 
 
 Surface and Volume Properties
  Accessible surface: 645.899  Positive charged surface: 405.909  Negative charged surface: 239.99  Volume: 375.125
  Hydrophobic surface: 415.406  Hydrophilic surface: 230.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02805671
PUBCHEM-ZINC01437943