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PUBCHEM-ZINC05912355

MMsINC code: MMs03441594

Type: Neutral
Formula: C24H24N2O2
SMILES:   O(Cc1ccccc1)c1cc(ccc1)\C=N\NC(=O)c1ccc(cc1)C(C)C
InChI:   InChI=1/C24H24N2O2/c1-18(2)21-11-13-22(14-12-21)24(27)26-25-16-20-9-6-10-23(15-20)28-17-19-7-4-3-5-8-19/h3-16,18H,17H2,1-2H3,(H,26,27)/b25-16+

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Potential Energy
Epot(MMFF94)=115.2 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.86079  SlogP: 5.4193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199261  Sterimol/B1: 2.37484  Sterimol/B2: 3.02817  Sterimol/B3: 4.87439
  Sterimol/B4: 7.12946  Sterimol/L: 22.8141 
 
 Surface and Volume Properties
  Accessible surface: 722.87  Positive charged surface: 423.482  Negative charged surface: 299.388  Volume: 382.5
  Hydrophobic surface: 597.851  Hydrophilic surface: 125.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.