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


CHEMBRIDGE-ZINC02831398

 MMsINC code: MMs00722041
Type: Neutral
Formula: C9H22NO3P
SMILES:   P(OCC)(OCC)(=O)CNCCCC
InChI:   InChI=1/C9H22NO3P/c1-4-7-8-10-9-14(11,12-5-2)13-6-3/h10H,4-9H2,1-3H3

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)=31.7191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.253 g/mol  logS: -0.78244  SlogP: 1.5295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070871  Sterimol/B1: 2.44853  Sterimol/B2: 4.61442  Sterimol/B3: 5.03813
  Sterimol/B4: 5.07409  Sterimol/L: 14.9272 
 
 Surface and Volume Properties
  Accessible surface: 499.871  Positive charged surface: 383.987  Negative charged surface: 115.884  Volume: 229.75
  Hydrophobic surface: 383.295  Hydrophilic surface: 116.576
 
 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.