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


IBS-ZINC03097149

 MMsINC code: MMs01870469
Type: Neutral
Formula: C10H24NO3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)NCC(C)C
InChI:   InChI=1/C10H24NO3P/c1-8(2)7-11-15(12,13-9(3)4)14-10(5)6/h8-10H,7H2,1-6H3,(H,11,12)

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)=-22.3801 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.28 g/mol  logS: -1.34826  SlogP: 2.1199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142008  Sterimol/B1: 2.3773  Sterimol/B2: 2.37937  Sterimol/B3: 4.75149
  Sterimol/B4: 8.72078  Sterimol/L: 11.9485 
 
 Surface and Volume Properties
  Accessible surface: 486.761  Positive charged surface: 328.47  Negative charged surface: 158.29  Volume: 246.375
  Hydrophobic surface: 318.006  Hydrophilic surface: 168.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.