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


PUBCHEM-ZINC05997986

 MMsINC code: MMs03482021
Type: Neutral
Formula: C10H15N3O5
SMILES:   O1C(CO)C(O)CC1N1C=CC(=NC1=O)NOC
InChI:   InChI=1/C10H15N3O5/c1-17-12-8-2-3-13(10(16)11-8)9-4-6(15)7(5-14)18-9/h2-3,6-7,9,14-15H,4-5H2,1H3,(H,11,12,16)/t6-,7+,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)=52.5294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.246 g/mol  logS: -0.62529  SlogP: -1.0466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0930166  Sterimol/B1: 2.83021  Sterimol/B2: 3.38827  Sterimol/B3: 4.11637
  Sterimol/B4: 5.31565  Sterimol/L: 14.1364 
 
 Surface and Volume Properties
  Accessible surface: 471.424  Positive charged surface: 344.803  Negative charged surface: 126.621  Volume: 223.625
  Hydrophobic surface: 280.822  Hydrophilic surface: 190.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.