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


CHEMSTAR-ZINC04207777

 MMsINC code: MMs01111520
Type: Neutral
Formula: C13H24O3P+
SMILES:   [P+](CO)(CO)(CO)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C13H24O3P/c14-7-17(8-15,9-16)13-4-10-1-11(5-13)3-12(2-10)6-13/h10-12,14-16H,1-9H2/q+1/t10-,11+,12-,13-

Download   format file 
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)=74.2364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.306 g/mol  logS: -0.45672  SlogP: 1.8222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.354047  Sterimol/B1: 3.23954  Sterimol/B2: 3.54454  Sterimol/B3: 4.64312
  Sterimol/B4: 6.04271  Sterimol/L: 10.9146 
 
 Surface and Volume Properties
  Accessible surface: 442.131  Positive charged surface: 379.06  Negative charged surface: 63.0707  Volume: 254.5
  Hydrophobic surface: 317.585  Hydrophilic surface: 124.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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.