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PUBCHEM-ZINC02930375

 MMsINC code: MMs02961490
Type: Neutral
Formula: C28H22N2O3
SMILES:   o1c2c(nc1-c1cccc(NC(=O)c3cc(OCc4ccccc4)ccc3)c1C)cccc2
InChI:   InChI=1/C28H22N2O3/c1-19-23(28-30-25-14-5-6-16-26(25)33-28)13-8-15-24(19)29-27(31)21-11-7-12-22(17-21)32-18-20-9-3-2-4-10-20/h2-17H,18H2,1H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.495 g/mol  logS: -8.64929  SlogP: 6.90092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288233  Sterimol/B1: 2.95724  Sterimol/B2: 3.94983  Sterimol/B3: 4.70094
  Sterimol/B4: 6.75133  Sterimol/L: 24.4069 
 
 Surface and Volume Properties
  Accessible surface: 757.866  Positive charged surface: 418.316  Negative charged surface: 339.55  Volume: 420.875
  Hydrophobic surface: 685.509  Hydrophilic surface: 72.357
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.