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PUBCHEM-ZINC04571358

 MMsINC code: MMs03135945
Type: Neutral
Formula: C34H35NO7
SMILES:   O(C)c1c(OCc2ccccc2)cc(cc1OC)CCC(=O)NCC(=O)c1cc(OC)c(OCc2cccc
c2)cc1
InChI:   InChI=1/C34H35NO7/c1-38-30-20-27(15-16-29(30)41-22-24-10-6-4-7-11-24)28(36)21-35-33(37)17-14-26-18-31(39-2)34(40-3)32(19-26)42-23-25-12-8-5-9-13-25/h4-13,15-16,18-20H,14,17,21-23H2,1-3H3,(H,35,37)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=178.082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 569.654 g/mol  logS: -7.36135  SlogP: 6.33487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0419373  Sterimol/B1: 2.22644  Sterimol/B2: 6.60398  Sterimol/B3: 7.74281
  Sterimol/B4: 8.19538  Sterimol/L: 27.2715 
 
 Surface and Volume Properties
  Accessible surface: 1006.38  Positive charged surface: 689.377  Negative charged surface: 317.007  Volume: 561
  Hydrophobic surface: 883.456  Hydrophilic surface: 122.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.