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


NCID-ZINC04775784

 MMsINC code: MMs02404318
Type: Neutral
Formula: C11H16N6O3
SMILES:   O1C(CO)C(O)CC1n1c2ncnc(N)c2nc1NC
InChI:   InChI=1/C11H16N6O3/c1-13-11-16-8-9(12)14-4-15-10(8)17(11)7-2-5(19)6(3-18)20-7/h4-7,18-19H,2-3H2,1H3,(H,13,16)(H2,12,14,15)/t5-,6-,7+/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)=65.8014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.288 g/mol  logS: -1.76519  SlogP: -0.8136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150226  Sterimol/B1: 2.33988  Sterimol/B2: 3.52696  Sterimol/B3: 3.82298
  Sterimol/B4: 9.19821  Sterimol/L: 12.4733 
 
 Surface and Volume Properties
  Accessible surface: 484.716  Positive charged surface: 408.245  Negative charged surface: 76.4715  Volume: 245.5
  Hydrophobic surface: 228.2  Hydrophilic surface: 256.516
 
 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.