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


PUBCHEM-ZINC06272866

 MMsINC code: MMs03651740
Type: Neutral
Formula: C23H24O3
SMILES:   Oc1c(cccc1CC=C)C1C2(C(CC=C1C=C)C(=O)C(=CC2=O)C)C
InChI:   InChI=1/C23H24O3/c1-5-8-16-9-7-10-17(22(16)26)20-15(6-2)11-12-18-21(25)14(3)13-19(24)23(18,20)4/h5-7,9-11,13,18,20,26H,1-2,8,12H2,3-4H3/t18-,20+,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)=231.93 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.442 g/mol  logS: -4.80902  SlogP: 4.44097  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118172  Sterimol/B1: 3.13229  Sterimol/B2: 3.38382  Sterimol/B3: 4.74751
  Sterimol/B4: 6.31563  Sterimol/L: 16.211 
 
 Surface and Volume Properties
  Accessible surface: 568.348  Positive charged surface: 343.319  Negative charged surface: 225.029  Volume: 345.5
  Hydrophobic surface: 413.611  Hydrophilic surface: 154.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.