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


PUBCHEM-ZINC06625841

 MMsINC code: MMs03828006
Type: Neutral
Formula: C5H12NO3P
SMILES:   P1(OCCN(CCO1)C)O
InChI:   InChI=1/C5H12NO3P/c1-6-2-4-8-10(7)9-5-3-6/h7H,2-5H2,1H3

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)=49.4971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.129 g/mol  logS: 0.28303  SlogP: 0.1842  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.286474  Sterimol/B1: 2.40966  Sterimol/B2: 3.53404  Sterimol/B3: 4.04815
  Sterimol/B4: 4.54495  Sterimol/L: 9.85491 
 
 Surface and Volume Properties
  Accessible surface: 326.089  Positive charged surface: 283.355  Negative charged surface: 42.7344  Volume: 146.125
  Hydrophobic surface: 229.883  Hydrophilic surface: 96.206
 
 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


MMs03828007
PUBCHEM-ZINC06625841