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


IBS-ZINC04029319

 MMsINC code: MMs01875874
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(O)(=O)(CCCN)CO
InChI:   InChI=1/C4H12NO3P/c5-2-1-3-9(7,8)4-6/h6H,1-5H2,(H,7,8)

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)=20.3491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: 1.59227  SlogP: -1.5148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083823  Sterimol/B1: 3.09547  Sterimol/B2: 3.25612  Sterimol/B3: 3.35988
  Sterimol/B4: 3.44105  Sterimol/L: 12.1212 
 
 Surface and Volume Properties
  Accessible surface: 341.334  Positive charged surface: 248.816  Negative charged surface: 92.5175  Volume: 135.625
  Hydrophobic surface: 146.82  Hydrophilic surface: 194.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.