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


ACROSORGANICS-ZINC01689472

 MMsINC code: MMs00011006
Type: Neutral
Formula: C3H9O4P
SMILES:   P(OC)(OC)(OC)=O
InChI:   InChI=1/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3

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)=-8.76306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.075 g/mol  logS: 0.13406  SlogP: -0.0365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101529  Sterimol/B1: 2.3526  Sterimol/B2: 2.55145  Sterimol/B3: 3.02837
  Sterimol/B4: 5.49055  Sterimol/L: 9.6864 
 
 Surface and Volume Properties
  Accessible surface: 305.948  Positive charged surface: 245.136  Negative charged surface: 60.8126  Volume: 116.875
  Hydrophobic surface: 241.562  Hydrophilic surface: 64.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.