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


MICROSOURCE-ZINC03978048

 MMsINC code: MMs02188663
Type: Neutral
Formula: C10H13N5O4
SMILES:   O1C(CO)C(O)C(O)C1n1c2ncnc(N)c2nc1
InChI:   InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10+/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)=84.4394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.245 g/mol  logS: -0.96268  SlogP: -1.8845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744001  Sterimol/B1: 2.38224  Sterimol/B2: 2.4487  Sterimol/B3: 4.3294
  Sterimol/B4: 5.68846  Sterimol/L: 13.1308 
 
 Surface and Volume Properties
  Accessible surface: 449.592  Positive charged surface: 347.903  Negative charged surface: 101.689  Volume: 226
  Hydrophobic surface: 151.378  Hydrophilic surface: 298.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02188664
MICROSOURCE-ZINC03978048