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


PUBCHEM-ZINC05958686

 MMsINC code: MMs03461143
Type: Neutral
Formula: C9H18NO4P
SMILES:   P(OCC)(=O)(CN1CCCC1C(O)=O)C
InChI:   InChI=1/C9H18NO4P/c1-3-14-15(2,13)7-10-6-4-5-8(10)9(11)12/h8H,3-7H2,1-2H3,(H,11,12)/t8-,15+/m0/s1

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)=60.1103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.22 g/mol  logS: 0.16436  SlogP: 0.3671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777631  Sterimol/B1: 2.42403  Sterimol/B2: 4.17467  Sterimol/B3: 4.23294
  Sterimol/B4: 4.69904  Sterimol/L: 13.563 
 
 Surface and Volume Properties
  Accessible surface: 452.65  Positive charged surface: 320.905  Negative charged surface: 131.745  Volume: 218
  Hydrophobic surface: 295.592  Hydrophilic surface: 157.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03461144
PUBCHEM-ZINC05958686