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PUBCHEM-ZINC03914860

 MMsINC code: MMs03084549
Type: Neutral
Formula: C32H42N2O10
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)N1CCN(CC1COC(=O)C1CCCCC1)C(=O)c1cc(
OC)c(OC)c(OC)c1
InChI:   InChI=1/C32H42N2O10/c1-38-24-14-21(15-25(39-2)28(24)42-5)30(35)33-12-13-34(23(18-33)19-44-32(37)20-10-8-7-9-11-20)31(36)22-16-26(40-3)29(43-6)27(17-22)41-4/h14-17,20,23H,7-13,18-19H2,1-6H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=279.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 614.692 g/mol  logS: -5.97331  SlogP: 3.8285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632983  Sterimol/B1: 3.28844  Sterimol/B2: 4.59683  Sterimol/B3: 5.04307
  Sterimol/B4: 11.6964  Sterimol/L: 19.8086 
 
 Surface and Volume Properties
  Accessible surface: 918.779  Positive charged surface: 769.319  Negative charged surface: 149.46  Volume: 574.125
  Hydrophobic surface: 811.142  Hydrophilic surface: 107.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.