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


AURORAFEINCHEMIE-ZINC02565964

 MMsINC code: MMs00454875
Type: Neutral
Formula: C8H19OP
SMILES:   [PH](=O)(CCCC)CCCC
InChI:   InChI=1/C8H19OP/c1-3-5-7-10(9)8-6-4-2/h10H,3-8H2,1-2H3

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)=-0.477454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.213 g/mol  logS: -1.80199  SlogP: 2.0761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393635  Sterimol/B1: 2.47798  Sterimol/B2: 2.84865  Sterimol/B3: 3.00606
  Sterimol/B4: 3.00908  Sterimol/L: 15.2224 
 
 Surface and Volume Properties
  Accessible surface: 413.145  Positive charged surface: 291.789  Negative charged surface: 121.356  Volume: 184.375
  Hydrophobic surface: 337.112  Hydrophilic surface: 76.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.