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


PUBCHEM-ZINC06932080

 MMsINC code: MMs03905901
Type: Neutral
Formula: C6H15NO7P2
SMILES:   P(OP(O)(O)=O)(=O)(C(N)C)CC(C(O)=O)C
InChI:   InChI=1/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5+,15-/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)=-56.0288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.134 g/mol  logS: 1.22195  SlogP: -1.7412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229692  Sterimol/B1: 2.44735  Sterimol/B2: 5.00961  Sterimol/B3: 5.02327
  Sterimol/B4: 5.14747  Sterimol/L: 11.7653 
 
 Surface and Volume Properties
  Accessible surface: 445.967  Positive charged surface: 252.991  Negative charged surface: 192.975  Volume: 213.75
  Hydrophobic surface: 117.501  Hydrophilic surface: 328.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03905902
PUBCHEM-ZINC06932080