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


BACHEM-ZINC03869281

 MMsINC code: MMs00484606
Type: Neutral
Formula: C3H8NO6P
SMILES:   P(OCC(N)C(O)=O)(O)(O)=O
InChI:   InChI=1/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

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)=-49.9985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.072 g/mol  logS: 1.13722  SlogP: -2.5626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934174  Sterimol/B1: 3.22044  Sterimol/B2: 3.23569  Sterimol/B3: 3.32736
  Sterimol/B4: 3.99792  Sterimol/L: 10.9481 
 
 Surface and Volume Properties
  Accessible surface: 346.231  Positive charged surface: 197.895  Negative charged surface: 148.337  Volume: 133.875
  Hydrophobic surface: 45.9369  Hydrophilic surface: 300.2941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs00484607
BACHEM-ZINC03869281