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


PUBCHEM-ZINC03647663

 MMsINC code: MMs03033257
Type: Neutral
Formula: C10H14NO6P
SMILES:   P(Oc1cc(NC(=O)C)ccc1OCC)(O)(O)=O
InChI:   InChI=1/C10H14NO6P/c1-3-16-9-5-4-8(11-7(2)12)6-10(9)17-18(13,14)15/h4-6H,3H2,1-2H3,(H,11,12)(H2,13,14,15)

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)=-10.6959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.197 g/mol  logS: -1.4647  SlogP: 0.445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486751  Sterimol/B1: 2.47647  Sterimol/B2: 2.80497  Sterimol/B3: 3.27201
  Sterimol/B4: 8.09879  Sterimol/L: 13.7184 
 
 Surface and Volume Properties
  Accessible surface: 481.037  Positive charged surface: 286.248  Negative charged surface: 194.79  Volume: 231
  Hydrophobic surface: 265.569  Hydrophilic surface: 215.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.