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


IBS-ZINC01817024

 MMsINC code: MMs01776915
Type: Neutral
Formula: C24H47O4P
SMILES:   P(OC1CC(CCC1C(C)C)C)(OC1CC(CCC1C(C)C)C)(=O)C(O)C(C)C
InChI:   InChI=1/C24H47O4P/c1-15(2)20-11-9-18(7)13-22(20)27-29(26,24(25)17(5)6)28-23-14-19(8)10-12-21(23)16(3)4/h15-25H,9-14H2,1-8H3/t18-,19-,20-,21+,22-,23-,24+,29-/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)=130.33 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.61 g/mol  logS: -6.45746  SlogP: 6.0385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188092  Sterimol/B1: 4.60999  Sterimol/B2: 4.64265  Sterimol/B3: 5.11931
  Sterimol/B4: 7.55148  Sterimol/L: 15.3121 
 
 Surface and Volume Properties
  Accessible surface: 658.719  Positive charged surface: 494.944  Negative charged surface: 163.775  Volume: 454.125
  Hydrophobic surface: 518.094  Hydrophilic surface: 140.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.