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


NCID-ZINC05368313

 MMsINC code: MMs02454707
Type: Neutral
Formula: C23H34O3
SMILES:   O=C1C2C(C3CCC(C(=O)C)C3(C1)C)CCC1CC(CCC12C)C(=O)C
InChI:   InChI=1/C23H34O3/c1-13(24)15-9-10-22(3)16(11-15)5-6-17-19-8-7-18(14(2)25)23(19,4)12-20(26)21(17)22/h15-19,21H,5-12H2,1-4H3/t15-,16+,17-,18+,19+,21+,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)=154.468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.522 g/mol  logS: -5.05121  SlogP: 4.6185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167869  Sterimol/B1: 2.32372  Sterimol/B2: 2.83446  Sterimol/B3: 5.62864
  Sterimol/B4: 6.86825  Sterimol/L: 15.4601 
 
 Surface and Volume Properties
  Accessible surface: 566.823  Positive charged surface: 389.419  Negative charged surface: 177.404  Volume: 363
  Hydrophobic surface: 473.288  Hydrophilic surface: 93.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.