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


NCID-ZINC01755742

 MMsINC code: MMs02364507
Type: Neutral
Formula: C4H11O3P
SMILES:   [PH](OCCCC)(O)=O
InChI:   InChI=1/C4H11O3P/c1-2-3-4-7-8(5)6/h8H,2-4H2,1H3,(H,5,6)

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)=-20.4015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.103 g/mol  logS: -0.92173  SlogP: 0.1149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645376  Sterimol/B1: 2.59785  Sterimol/B2: 2.64174  Sterimol/B3: 2.80296
  Sterimol/B4: 3.22682  Sterimol/L: 12.0218 
 
 Surface and Volume Properties
  Accessible surface: 332.848  Positive charged surface: 202.139  Negative charged surface: 130.709  Volume: 125.875
  Hydrophobic surface: 195.651  Hydrophilic surface: 137.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.