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


PUBCHEM-ZINC01483267

 MMsINC code: MMs02812149
Type: Neutral
Formula: C11H14FN5O3
SMILES:   FC1C(CO)C(O)C(O)C1n1c2ncnc(N)c2nc1
InChI:   InChI=1/C11H14FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-5,7-9,18-20H,1H2,(H2,13,14,15)/t4-,5+,7+,8+,9-/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)=65.7045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.263 g/mol  logS: -1.33933  SlogP: -0.853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114805  Sterimol/B1: 2.24211  Sterimol/B2: 2.95472  Sterimol/B3: 4.65206
  Sterimol/B4: 4.80971  Sterimol/L: 14.7227 
 
 Surface and Volume Properties
  Accessible surface: 466.81  Positive charged surface: 354.08  Negative charged surface: 112.729  Volume: 235.75
  Hydrophobic surface: 165.288  Hydrophilic surface: 301.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.