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IBS-ZINC05164838

 MMsINC code: MMs01927165
Type: Neutral
Formula: C26H20N2O2
SMILES:   Oc1c2c(ccc1C1=NN(C(=O)c3ccccc3)C(C1)c1ccccc1)cccc2
InChI:   InChI=1/C26H20N2O2/c29-25-21-14-8-7-9-18(21)15-16-22(25)23-17-24(19-10-3-1-4-11-19)28(27-23)26(30)20-12-5-2-6-13-20/h1-16,24,29H,17H2/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=150.16 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.458 g/mol  logS: -7.04555  SlogP: 5.6324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751853  Sterimol/B1: 2.61613  Sterimol/B2: 2.89034  Sterimol/B3: 5.38073
  Sterimol/B4: 10.2925  Sterimol/L: 16.2804 
 
 Surface and Volume Properties
  Accessible surface: 650.156  Positive charged surface: 349.651  Negative charged surface: 289.68  Volume: 383.125
  Hydrophobic surface: 599.782  Hydrophilic surface: 50.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.