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PUBCHEM-ZINC06074265

 MMsINC code: MMs03526960
Type: Neutral
Formula: C30H42N2O8
SMILES:   O1CCOc2cc(NC(=O)C(C)(C)C)ccc2OCCOCCOc2c(OCC1)cc(NC(=O)C(C)(C
)C)cc2
InChI:   InChI=1/C30H42N2O8/c1-29(2,3)27(33)31-21-7-9-23-25(19-21)39-17-13-36-14-18-40-26-20-22(32-28(34)30(4,5)6)8-10-24(26)38-16-12-35-11-15-37-23/h7-10,19-20H,11-18H2,1-6H3,(H,31,33)(H,32,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=194.558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 558.672 g/mol  logS: -5.44438  SlogP: 4.918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210705  Sterimol/B1: 3.89888  Sterimol/B2: 3.92065  Sterimol/B3: 4.76879
  Sterimol/B4: 6.77525  Sterimol/L: 26.7358 
 
 Surface and Volume Properties
  Accessible surface: 918.87  Positive charged surface: 682.509  Negative charged surface: 236.36  Volume: 548.5
  Hydrophobic surface: 739.88  Hydrophilic surface: 178.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  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.