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


NCID-ZINC04990902

 MMsINC code: MMs02424857
Type: Neutral
Formula: C16H16F2N4O7
SMILES:   Fc1nc(F)nc2n(cnc12)C1OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C16H16F2N4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11+,12+,15-/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)=80.9543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.321 g/mol  logS: -4.28771  SlogP: 0.5239  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12283  Sterimol/B1: 2.20177  Sterimol/B2: 3.2334  Sterimol/B3: 4.4682
  Sterimol/B4: 9.07994  Sterimol/L: 15.4251 
 
 Surface and Volume Properties
  Accessible surface: 617.648  Positive charged surface: 352.003  Negative charged surface: 265.645  Volume: 332.25
  Hydrophobic surface: 431.977  Hydrophilic surface: 185.671
 
 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.