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


IBS-ZINC02309431

 MMsINC code: MMs01829094
Type: Neutral
Formula: C12H19O4P
SMILES:   P(OCC)(OCC)(=O)c1cc(ccc1O)CC
InChI:   InChI=1/C12H19O4P/c1-4-10-7-8-11(13)12(9-10)17(14,15-5-2)16-6-3/h7-9,13H,4-6H2,1-3H3

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)=27.4412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.254 g/mol  logS: -2.71685  SlogP: 1.77577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600532  Sterimol/B1: 3.20584  Sterimol/B2: 3.85172  Sterimol/B3: 4.66653
  Sterimol/B4: 6.02436  Sterimol/L: 13.967 
 
 Surface and Volume Properties
  Accessible surface: 507.33  Positive charged surface: 331.739  Negative charged surface: 175.591  Volume: 250.375
  Hydrophobic surface: 373.151  Hydrophilic surface: 134.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.