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


PUBCHEM-ZINC05925462

 MMsINC code: MMs03446190
Type: Neutral
Formula: C30H46O2
SMILES:   Oc1c(cc(cc1C(C)(C)C)C(CC)C)C(C)c1cc(cc(C(C)(C)C)c1O)C(CC)C
InChI:   InChI=1/C30H46O2/c1-12-18(3)21-14-23(27(31)25(16-21)29(6,7)8)20(5)24-15-22(19(4)13-2)17-26(28(24)32)30(9,10)11/h14-20,31-32H,12-13H2,1-11H3/t18-,19+,20+

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)=157.515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.696 g/mol  logS: -10.4305  SlogP: 8.8716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165227  Sterimol/B1: 2.40381  Sterimol/B2: 4.10707  Sterimol/B3: 5.01134
  Sterimol/B4: 10.4768  Sterimol/L: 14.8456 
 
 Surface and Volume Properties
  Accessible surface: 750.492  Positive charged surface: 538.633  Negative charged surface: 211.859  Volume: 488.125
  Hydrophobic surface: 542.017  Hydrophilic surface: 208.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.