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


NCID-ZINC05648120

 MMsINC code: MMs02482782
Type: Neutral
Formula: C23H30O5
SMILES:   o1cc(c2c1CC1CCC(OC(=O)C(C)=C)C(C)C1(C)C2OC(=O)C(C)=C)C
InChI:   InChI=1/C23H30O5/c1-12(2)21(24)27-17-9-8-16-10-18-19(14(5)11-26-18)20(23(16,7)15(17)6)28-22(25)13(3)4/h11,15-17,20H,1,3,8-10H2,2,4-7H3/t15-,16-,17-,20+,23+/m1/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)=122.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.488 g/mol  logS: -4.6074  SlogP: 4.94029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209231  Sterimol/B1: 3.89443  Sterimol/B2: 4.87405  Sterimol/B3: 5.00757
  Sterimol/B4: 6.62447  Sterimol/L: 14.6291 
 
 Surface and Volume Properties
  Accessible surface: 608.161  Positive charged surface: 358.057  Negative charged surface: 250.104  Volume: 382.375
  Hydrophobic surface: 468.576  Hydrophilic surface: 139.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.