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PUBCHEM-ZINC06472359

 MMsINC code: MMs03752882
Type: Neutral
Formula: C23H24N4O
SMILES:   O=C1C(C=CC=CC1Cc1ccc(cc1)C(N)=N)Cc1ccc(cc1)C(N)=N
InChI:   InChI=1/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h1-12,19-20H,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1

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Potential Energy
Epot(MMFF94)=105.677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.472 g/mol  logS: -5.15983  SlogP: 2.96738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0786551  Sterimol/B1: 3.60949  Sterimol/B2: 4.13822  Sterimol/B3: 4.3384
  Sterimol/B4: 5.7448  Sterimol/L: 19.8752 
 
 Surface and Volume Properties
  Accessible surface: 641.031  Positive charged surface: 374.834  Negative charged surface: 266.198  Volume: 372.125
  Hydrophobic surface: 371.075  Hydrophilic surface: 269.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03752883
PUBCHEM-ZINC06472359