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NCID-ZINC01688209

 MMsINC code: MMs02320810
Type: Neutral
Formula: C32H42O2
SMILES:   Oc1c(cc(cc1C)C(C)(C)C)Cc1cc(Cc2cc(cc(C)c2O)C(C)(C)C)c(cc1C)C
InChI:   InChI=1/C32H42O2/c1-19-11-20(2)24(16-26-18-28(32(8,9)10)13-22(4)30(26)34)14-23(19)15-25-17-27(31(5,6)7)12-21(3)29(25)33/h11-14,17-18,33-34H,15-16H2,1-10H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.63 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.686 g/mol  logS: -9.57478  SlogP: 8.10802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778499  Sterimol/B1: 2.49885  Sterimol/B2: 3.11361  Sterimol/B3: 5.98717
  Sterimol/B4: 7.65788  Sterimol/L: 20.1138 
 
 Surface and Volume Properties
  Accessible surface: 784.668  Positive charged surface: 529.644  Negative charged surface: 255.024  Volume: 503.75
  Hydrophobic surface: 636.924  Hydrophilic surface: 147.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.