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


NCID-ZINC05743001

 MMsINC code: MMs02493830
Type: Neutral
Formula: C3H10O6P2
SMILES:   P(O)(O)(=O)CCCP(O)(O)=O
InChI:   InChI=1/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)

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)=-87.5228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.055 g/mol  logS: 1.54673  SlogP: -2.4085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113379  Sterimol/B1: 2.91783  Sterimol/B2: 2.9988  Sterimol/B3: 3.21858
  Sterimol/B4: 3.21904  Sterimol/L: 12.3132 
 
 Surface and Volume Properties
  Accessible surface: 365.471  Positive charged surface: 198.017  Negative charged surface: 167.454  Volume: 145.625
  Hydrophobic surface: 90.7145  Hydrophilic surface: 274.7565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.