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


NCID-ZINC03872577

 MMsINC code: MMs02381494
Type: Neutral
Formula: C10H12FN5O4
SMILES:   Fc1nc(N)c2ncn(c2n1)C1OC(CO)C(O)C1O
InChI:   InChI=1/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5+,6-,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)=73.961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.235 g/mol  logS: -1.8594  SlogP: -1.7454  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.07705  Sterimol/B1: 2.16067  Sterimol/B2: 3.27246  Sterimol/B3: 3.53095
  Sterimol/B4: 6.02961  Sterimol/L: 13.7627 
 
 Surface and Volume Properties
  Accessible surface: 463.482  Positive charged surface: 323.19  Negative charged surface: 140.293  Volume: 227.5
  Hydrophobic surface: 178.703  Hydrophilic surface: 284.779
 
 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


MMs02381495
NCID-ZINC03872577