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


PUBCHEM-ZINC06524864

 MMsINC code: MMs03782911
Type: Neutral
Formula: C10H16N3O6P
SMILES:   P(O)(O)(=O)COCC1OC(N2C=CC(=NC2=O)N)CC1
InChI:   InChI=1/C10H16N3O6P/c11-8-3-4-13(10(14)12-8)9-2-1-7(19-9)5-18-6-20(15,16)17/h3-4,7,9H,1-2,5-6H2,(H2,11,12,14)(H2,15,16,17)/t7-,9+/m0/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)=4.2958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.227 g/mol  logS: -0.26219  SlogP: -1.1204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965004  Sterimol/B1: 2.52692  Sterimol/B2: 4.2106  Sterimol/B3: 4.27395
  Sterimol/B4: 5.46723  Sterimol/L: 14.1383 
 
 Surface and Volume Properties
  Accessible surface: 502.832  Positive charged surface: 330.504  Negative charged surface: 172.328  Volume: 250.375
  Hydrophobic surface: 242.68  Hydrophilic surface: 260.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.