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PUBCHEM-ZINC05475012

 MMsINC code: MMs03279789
Type: Neutral
Formula: C24H26N2O5
SMILES:   O(CC)c1c(OCC)cc(cc1OCC)C(=O)N\N=C\c1ccc2c(cccc2)c1O
InChI:   InChI=1/C24H26N2O5/c1-4-29-20-13-18(14-21(30-5-2)23(20)31-6-3)24(28)26-25-15-17-12-11-16-9-7-8-10-19(16)22(17)27/h7-15,27H,4-6H2,1-3H3,(H,26,28)/b25-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -6.18685  SlogP: 4.5054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104675  Sterimol/B1: 2.48331  Sterimol/B2: 2.48742  Sterimol/B3: 3.30117
  Sterimol/B4: 11.7549  Sterimol/L: 21.4115 
 
 Surface and Volume Properties
  Accessible surface: 761.872  Positive charged surface: 508.218  Negative charged surface: 242.837  Volume: 410
  Hydrophobic surface: 584.156  Hydrophilic surface: 177.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.