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


NCID-ZINC04428527

 MMsINC code: MMs02386855
Type: Neutral
Formula: C23H32O4
SMILES:   O=C1CC2=CCC3C4CCC(C(=O)COC(=O)C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,17-20H,5-13H2,1-3H3/t17-,18-,19-,20+,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)=124.539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.505 g/mol  logS: -5.79047  SlogP: 4.2667  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0828619  Sterimol/B1: 2.38207  Sterimol/B2: 2.61735  Sterimol/B3: 4.69788
  Sterimol/B4: 7.35393  Sterimol/L: 18.2313 
 
 Surface and Volume Properties
  Accessible surface: 605.152  Positive charged surface: 407.817  Negative charged surface: 197.335  Volume: 368.875
  Hydrophobic surface: 452.801  Hydrophilic surface: 152.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.