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


NCID-ZINC05923033

 MMsINC code: MMs02511423
Type: Neutral
Formula: C24H32O6
SMILES:   O1C=2C(=C3OC(=O)C=C4C3C(OC4CC)C=2CC=C(C)C)C(O)C(CC)(C)C1(O)C
InChI:   InChI=1/C24H32O6/c1-7-15-14-11-16(25)29-21-17(14)19(28-15)13(10-9-12(3)4)20-18(21)22(26)23(5,8-2)24(6,27)30-20/h9,11,15,17,19,22,26-27H,7-8,10H2,1-6H3/t15-,17+,19-,22+,23+,24-/m0/s1

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)=150.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.514 g/mol  logS: -5.80504  SlogP: 3.6572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158516  Sterimol/B1: 4.00833  Sterimol/B2: 4.9168  Sterimol/B3: 5.771
  Sterimol/B4: 7.58044  Sterimol/L: 14.6072 
 
 Surface and Volume Properties
  Accessible surface: 641.625  Positive charged surface: 433.056  Negative charged surface: 208.569  Volume: 402.625
  Hydrophobic surface: 448.053  Hydrophilic surface: 193.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.