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


PUBCHEM-ZINC01532542

 MMsINC code: MMs02813630
Type: Ionized
Formula: C15H27O4P-2
SMILES:   P(OCCC(CC\C=C(/CCC=C(C)C)\C)C)(=O)([O-])[O-]
InChI:   InChI=1/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/p-2/b14-9-/t15-/m0/s1

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)=10.6443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.351 g/mol  logS: -4.58576  SlogP: 2.2606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100517  Sterimol/B1: 2.16688  Sterimol/B2: 5.16813  Sterimol/B3: 6.19248
  Sterimol/B4: 6.31787  Sterimol/L: 15.8829 
 
 Surface and Volume Properties
  Accessible surface: 609.651  Positive charged surface: 364.077  Negative charged surface: 245.575  Volume: 311.375
  Hydrophobic surface: 430.836  Hydrophilic surface: 178.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 3  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs02813629
PUBCHEM-ZINC01532542