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


NCID-ZINC04804609

 MMsINC code: MMs02408759
Type: Neutral
Formula: C23H34O4
SMILES:   OC1CC2=CCC3C4CCC(C(=O)CC(OC)=O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C23H34O4/c1-22-10-8-15(24)12-14(22)4-5-16-17-6-7-19(20(25)13-21(26)27-3)23(17,2)11-9-18(16)22/h4,15-19,24H,5-13H2,1-3H3/t15-,16+,17-,18-,19+,22-,23+/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)=137.328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.521 g/mol  logS: -5.45099  SlogP: 4.0585  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.142943  Sterimol/B1: 2.35028  Sterimol/B2: 3.05288  Sterimol/B3: 5.54344
  Sterimol/B4: 7.15069  Sterimol/L: 17.4661 
 
 Surface and Volume Properties
  Accessible surface: 601.974  Positive charged surface: 463.489  Negative charged surface: 138.484  Volume: 373.5
  Hydrophobic surface: 467.286  Hydrophilic surface: 134.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.