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PUBCHEM-ZINC02553150

 MMsINC code: MMs02899993
Type: Neutral
Formula: C27H24N2O2
SMILES:   O(Cc1ccc(cc1)C)c1ccc(cc1)\C=N\NC(=O)Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C27H24N2O2/c1-20-9-11-22(12-10-20)19-31-25-15-13-21(14-16-25)18-28-29-27(30)17-24-7-4-6-23-5-2-3-8-26(23)24/h2-16,18H,17,19H2,1H3,(H,29,30)/b28-18+

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Potential Energy
Epot(MMFF94)=133.414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.501 g/mol  logS: -7.7697  SlogP: 5.68639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452017  Sterimol/B1: 3.66463  Sterimol/B2: 4.80008  Sterimol/B3: 4.99314
  Sterimol/B4: 6.66243  Sterimol/L: 22.6301 
 
 Surface and Volume Properties
  Accessible surface: 772.844  Positive charged surface: 443.062  Negative charged surface: 319.991  Volume: 414.625
  Hydrophobic surface: 692.084  Hydrophilic surface: 80.76
 
 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.