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


MICROSOURCE-ZINC03978681

 MMsINC code: MMs02189339
Type: Neutral
Formula: C24H36O3
SMILES:   O=C1CC2CCC3C4CCC(C(CCC(O)=O)C)C4(C=CC3C2(CC1)C)C
InChI:   InChI=1/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,13,15-16,18-21H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,18-,19-,20+,21+,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)=147.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.549 g/mol  logS: -6.96528  SlogP: 5.4913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086558  Sterimol/B1: 2.42015  Sterimol/B2: 3.52901  Sterimol/B3: 4.23407
  Sterimol/B4: 6.36179  Sterimol/L: 19.0444 
 
 Surface and Volume Properties
  Accessible surface: 596.682  Positive charged surface: 409.315  Negative charged surface: 187.367  Volume: 380.75
  Hydrophobic surface: 401.134  Hydrophilic surface: 195.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02189340
MICROSOURCE-ZINC03978681