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


NCID-ZINC05368609

 MMsINC code: MMs02454933
Type: Neutral
Formula: C24H34O5
SMILES:   o1c2c(cc1)C(C1C(C2)C2(C(C(OC(=O)C)C1OC(=O)C)C(CCC2)(C)C)C)C
InChI:   InChI=1/C24H34O5/c1-13-16-8-11-27-18(16)12-17-19(13)20(28-14(2)25)21(29-15(3)26)22-23(4,5)9-7-10-24(17,22)6/h8,11,13,17,19-22H,7,9-10,12H2,1-6H3/t13-,17+,19-,20+,21+,22+,24-/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)=160.255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.531 g/mol  logS: -6.59772  SlogP: 4.88117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.353958  Sterimol/B1: 2.57882  Sterimol/B2: 2.9267  Sterimol/B3: 6.66693
  Sterimol/B4: 8.1989  Sterimol/L: 14.0672 
 
 Surface and Volume Properties
  Accessible surface: 590.562  Positive charged surface: 381.929  Negative charged surface: 208.633  Volume: 394.375
  Hydrophobic surface: 490.883  Hydrophilic surface: 99.679
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.