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PUBCHEM-ZINC02867598

 MMsINC code: MMs02947127
Type: Neutral
Formula: C28H28N2O4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)c1cc(nc2c1cccc2)-c1cc(OCC)ccc1
InChI:   InChI=1/C28H28N2O4/c1-4-34-21-9-7-8-20(17-21)25-18-23(22-10-5-6-11-24(22)30-25)28(31)29-15-14-19-12-13-26(32-2)27(16-19)33-3/h5-13,16-18H,4,14-15H2,1-3H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.542 g/mol  logS: -6.82245  SlogP: 5.29017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477205  Sterimol/B1: 2.78765  Sterimol/B2: 3.98499  Sterimol/B3: 5.50009
  Sterimol/B4: 10.4322  Sterimol/L: 23.5753 
 
 Surface and Volume Properties
  Accessible surface: 813.361  Positive charged surface: 543.67  Negative charged surface: 256.966  Volume: 448.5
  Hydrophobic surface: 711.06  Hydrophilic surface: 102.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.