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


NCID-ZINC05923673

 MMsINC code: MMs02511622
Type: Neutral
Formula: C10H10ClFN5O6P
SMILES:   Clc1nc2c(nc(F)nc2N)n1C1OC2C(OP(OC2)(O)=O)C1O
InChI:   InChI=1/C10H10ClFN5O6P/c11-9-14-3-6(13)15-10(12)16-7(3)17(9)8-4(18)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,18H,1H2,(H,19,20)(H2,13,15,16)/t2-,4-,5+,8+/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)=39.5279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.644 g/mol  logS: -3.67957  SlogP: -0.9996  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0799915  Sterimol/B1: 2.46864  Sterimol/B2: 3.22137  Sterimol/B3: 4.27557
  Sterimol/B4: 7.56493  Sterimol/L: 14.8048 
 
 Surface and Volume Properties
  Accessible surface: 504.112  Positive charged surface: 260.963  Negative charged surface: 243.149  Volume: 262.875
  Hydrophobic surface: 194.39  Hydrophilic surface: 309.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 9  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02511623
NCID-ZINC05923673