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


PUBCHEM-ZINC01851805

 MMsINC code: MMs02826050
Type: Neutral
Formula: C11H23O4P
SMILES:   P1(OC(CC1(O)C)(C)C)(OCCCCC)=O
InChI:   InChI=1/C11H23O4P/c1-5-6-7-8-14-16(13)11(4,12)9-10(2,3)15-16/h12H,5-9H2,1-4H3/t11-,16-/m1/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)=60.1128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.275 g/mol  logS: -2.35646  SlogP: 2.2235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940567  Sterimol/B1: 3.4051  Sterimol/B2: 4.18789  Sterimol/B3: 4.33555
  Sterimol/B4: 4.9782  Sterimol/L: 14.3286 
 
 Surface and Volume Properties
  Accessible surface: 489.72  Positive charged surface: 345.176  Negative charged surface: 144.544  Volume: 246.125
  Hydrophobic surface: 340.189  Hydrophilic surface: 149.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.