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


PUBCHEM-ZINC05973081

 MMsINC code: MMs03468586
Type: Neutral
Formula: C9H23NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)NC(CCCCCC)C
InChI:   InChI=1/C9H23NO6P2/c1-3-4-5-6-7-8(2)10-9(17(11,12)13)18(14,15)16/h8-10H,3-7H2,1-2H3,(H2,11,12,13)(H2,14,15,16)/t8-/m1/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)=-34.2246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.232 g/mol  logS: -0.372  SlogP: -0.5665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0788552  Sterimol/B1: 3.12148  Sterimol/B2: 3.74679  Sterimol/B3: 3.86768
  Sterimol/B4: 6.3817  Sterimol/L: 15.7949 
 
 Surface and Volume Properties
  Accessible surface: 514.415  Positive charged surface: 326.266  Negative charged surface: 188.149  Volume: 265
  Hydrophobic surface: 259.669  Hydrophilic surface: 254.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  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:  
   

Ions/Tautomers related molecules: no related molecules available.