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


NCID-ZINC01564119

 MMsINC code: MMs02225843
Type: Ionized
Formula: C10H22NO4P
SMILES:   P(OC1CCCC1)(OCC[N+](C)(C)C)(=O)[O-]
InChI:   InChI=1/C10H22NO4P/c1-11(2,3)8-9-14-16(12,13)15-10-6-4-5-7-10/h10H,4-9H2,1-3H3

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)=-5.37463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.263 g/mol  logS: -0.31571  SlogP: 0.0666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088331  Sterimol/B1: 2.02047  Sterimol/B2: 3.17121  Sterimol/B3: 4.80538
  Sterimol/B4: 5.06257  Sterimol/L: 14.2192 
 
 Surface and Volume Properties
  Accessible surface: 474.414  Positive charged surface: 383.805  Negative charged surface: 90.6095  Volume: 242.75
  Hydrophobic surface: 358.308  Hydrophilic surface: 116.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 1
  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:  
   
Parent related molecule:


MMs02225842
NCID-ZINC01564119