logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC02572829

 MMsINC code: MMs02903173
Type: Neutral
Formula: C29H42O3
SMILES:   O(C(=O)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)c1ccc(cc1C(C)(C)C)C(C
)(C)C
InChI:   InChI=1/C29H42O3/c1-26(2,3)19-13-14-23(20(17-19)27(4,5)6)32-25(31)18-15-21(28(7,8)9)24(30)22(16-18)29(10,11)12/h13-17,30H,1-12H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=192.125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.652 g/mol  logS: -10.275  SlogP: 7.8014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115386  Sterimol/B1: 2.28868  Sterimol/B2: 4.75373  Sterimol/B3: 7.1382
  Sterimol/B4: 7.1822  Sterimol/L: 17.3449 
 
 Surface and Volume Properties
  Accessible surface: 746.726  Positive charged surface: 496.34  Negative charged surface: 250.386  Volume: 475.875
  Hydrophobic surface: 525.782  Hydrophilic surface: 220.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.