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


PUBCHEM-ZINC05163040

 MMsINC code: MMs03218587
Type: Neutral
Formula: C10H13N5O4
SMILES:   O1C(CO)C(O)CC1N1c2ncnc(N)c2NC1=O
InChI:   InChI=1/C10H13N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H,14,18)(H2,11,12,13)/t4-,5+,6-/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)=40.5024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.245 g/mol  logS: -0.71572  SlogP: -1.1211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711107  Sterimol/B1: 2.51929  Sterimol/B2: 3.06345  Sterimol/B3: 3.63581
  Sterimol/B4: 7.05739  Sterimol/L: 13.2376 
 
 Surface and Volume Properties
  Accessible surface: 455.109  Positive charged surface: 351.004  Negative charged surface: 104.105  Volume: 220.875
  Hydrophobic surface: 149.697  Hydrophilic surface: 305.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.