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


PUBCHEM-ZINC05276068

 MMsINC code: MMs03230259
Type: Neutral
Formula: C23H34O3
SMILES:   O=C1CCC2(C3C(C4CCC(C(OC(=O)C)C)C4(CC3)C)CCC2=C1)C
InChI:   InChI=1/C23H34O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h13-14,18-21H,5-12H2,1-4H3/t14-,18-,19+,20+,21-,22-,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)=133.522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.522 g/mol  logS: -6.73948  SlogP: 5.0861  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.208115  Sterimol/B1: 3.65746  Sterimol/B2: 4.19676  Sterimol/B3: 4.90221
  Sterimol/B4: 5.76979  Sterimol/L: 15.3818 
 
 Surface and Volume Properties
  Accessible surface: 565.923  Positive charged surface: 373.142  Negative charged surface: 192.781  Volume: 371
  Hydrophobic surface: 440.271  Hydrophilic surface: 125.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.