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


CHEMBRIDGE-ZINC01832169

 MMsINC code: MMs00698930
Type: Neutral
Formula: C10H19O5P
SMILES:   P(OCC)(OCC)(=O)C1(CCCC1)C(O)=O
InChI:   InChI=1/C10H19O5P/c1-3-14-16(13,15-4-2)10(9(11)12)7-5-6-8-10/h3-8H2,1-2H3,(H,11,12)

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)=1.78149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.231 g/mol  logS: -1.21756  SlogP: 1.5797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204556  Sterimol/B1: 2.27805  Sterimol/B2: 3.71763  Sterimol/B3: 4.63561
  Sterimol/B4: 8.19705  Sterimol/L: 11.1264 
 
 Surface and Volume Properties
  Accessible surface: 467.25  Positive charged surface: 334.976  Negative charged surface: 132.275  Volume: 231.25
  Hydrophobic surface: 329.741  Hydrophilic surface: 137.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  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


MMs00698931
CHEMBRIDGE-ZINC01832169