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


MICROSOURCE-ZINC03977902

 MMsINC code: MMs02188504
Type: Neutral
Formula: C24H40O4
SMILES:   OC1C2C3CCC(C(CCC(O)=O)C)C3(CCC2C2(C(C1)CC(O)CC2)C)C
InChI:   InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19-,20+,22-,23+,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)=155.697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.58 g/mol  logS: -6.26385  SlogP: 4.4779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825032  Sterimol/B1: 2.41659  Sterimol/B2: 3.47597  Sterimol/B3: 3.61634
  Sterimol/B4: 6.32926  Sterimol/L: 18.9781 
 
 Surface and Volume Properties
  Accessible surface: 616.442  Positive charged surface: 464.67  Negative charged surface: 151.772  Volume: 396.375
  Hydrophobic surface: 405.199  Hydrophilic surface: 211.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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


MMs02188505
MICROSOURCE-ZINC03977902