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


IBS-ZINC02160932

 MMsINC code: MMs01797638
Type: Ionized
Formula: C7H15NO4P-
SMILES:   P(=O)([O-])(CC(C(=O)[O-])C)CCC[NH3+]
InChI:   InChI=1/C7H16NO4P/c1-6(7(9)10)5-13(11,12)4-2-3-8/h6H,2-5,8H2,1H3,(H,9,10)(H,11,12)/p-1/t6-/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)=2.93212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.174 g/mol  logS: 0.70812  SlogP: -3.4274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612385  Sterimol/B1: 2.36063  Sterimol/B2: 2.74397  Sterimol/B3: 3.91
  Sterimol/B4: 5.11066  Sterimol/L: 13.3348 
 
 Surface and Volume Properties
  Accessible surface: 408.069  Positive charged surface: 262.605  Negative charged surface: 145.463  Volume: 187.75
  Hydrophobic surface: 173.26  Hydrophilic surface: 234.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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:  
   
Parent related molecule:


MMs01797637
IBS-ZINC02160932