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


IBS-ZINC01806154

 MMsINC code: MMs01775950
Type: Neutral
Formula: C10H24NO3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)N(CC)CC
InChI:   InChI=1/C10H24NO3P/c1-7-11(8-2)15(12,13-9(3)4)14-10(5)6/h9-10H,7-8H2,1-6H3

Download   format file 
Drug Similarity  |  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)=2.86307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.28 g/mol  logS: -1.34751  SlogP: 2.2161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.319069  Sterimol/B1: 2.50694  Sterimol/B2: 2.66563  Sterimol/B3: 6.14048
  Sterimol/B4: 6.64038  Sterimol/L: 11.9664 
 
 Surface and Volume Properties
  Accessible surface: 463.294  Positive charged surface: 330.817  Negative charged surface: 132.477  Volume: 245.25
  Hydrophobic surface: 329.076  Hydrophilic surface: 134.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.