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


FDA-ZINC03830851

 MMsINC code: MMs01726765
Type: Neutral
Formula: C10H13FN5O7P
SMILES:   P(OCC1OC(n2c3nc(F)nc(N)c3nc2)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/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)=16.2896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.214 g/mol  logS: -1.64698  SlogP: -2.6986  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0737562  Sterimol/B1: 3.14818  Sterimol/B2: 3.53461  Sterimol/B3: 3.70704
  Sterimol/B4: 6.20231  Sterimol/L: 14.8315 
 
 Surface and Volume Properties
  Accessible surface: 536.247  Positive charged surface: 336.61  Negative charged surface: 199.637  Volume: 269.375
  Hydrophobic surface: 152.71  Hydrophilic surface: 383.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 10  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


MMs01726766
FDA-ZINC03830851