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


PUBCHEM-ZINC06494217

 MMsINC code: MMs03767095
Type: Neutral
Formula: C16H26NO9P
SMILES:   P(OC1C(O)C(O)C(O)C(O)C1O)(OC(C(NC)C)c1ccccc1)(O)=O
InChI:   InChI=1/C16H26NO9P/c1-8(17-2)15(9-6-4-3-5-7-9)25-27(23,24)26-16-13(21)11(19)10(18)12(20)14(16)22/h3-8,10-22H,1-2H3,(H,23,24)/t8-,10-,11-,12+,13+,14+,15+,16+/m1/s1

Download   format file 
Drug Similarity  |  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)=59.4442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.356 g/mol  logS: -0.51895  SlogP: -2.3188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153949  Sterimol/B1: 2.46148  Sterimol/B2: 3.32483  Sterimol/B3: 5.21415
  Sterimol/B4: 7.78707  Sterimol/L: 14.4344 
 
 Surface and Volume Properties
  Accessible surface: 632.681  Positive charged surface: 441.256  Negative charged surface: 191.425  Volume: 352.5
  Hydrophobic surface: 360.442  Hydrophilic surface: 272.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.