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


NCID-ZINC04994294

 MMsINC code: MMs02425549
Type: Neutral
Formula: C16H17FN4O7
SMILES:   Fc1ncnc2n(cnc12)C1OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C16H17FN4O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3/t10-,12+,13-,16+/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)=94.9632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.331 g/mol  logS: -3.39099  SlogP: 0.3848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665238  Sterimol/B1: 2.0692  Sterimol/B2: 3.43938  Sterimol/B3: 3.77289
  Sterimol/B4: 9.22281  Sterimol/L: 15.1945 
 
 Surface and Volume Properties
  Accessible surface: 594.337  Positive charged surface: 357.804  Negative charged surface: 236.534  Volume: 327.625
  Hydrophobic surface: 387.482  Hydrophilic surface: 206.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.