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


NCID-ZINC01631221

 MMsINC code: MMs02276238
Type: Neutral
Formula: C9H22NO5P
SMILES:   P(OCC)(OCC)(=O)CN(CCO)CCO
InChI:   InChI=1/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3

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)=71.7697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.251 g/mol  logS: 0.53589  SlogP: -0.5736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124246  Sterimol/B1: 2.05826  Sterimol/B2: 3.41425  Sterimol/B3: 3.76279
  Sterimol/B4: 7.98087  Sterimol/L: 12.3221 
 
 Surface and Volume Properties
  Accessible surface: 494.138  Positive charged surface: 399.732  Negative charged surface: 94.4062  Volume: 242.75
  Hydrophobic surface: 333.849  Hydrophilic surface: 160.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.