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


PUBCHEM-ZINC06585276

 MMsINC code: MMs03809716
Type: Neutral
Formula: C10H10FN5O3
SMILES:   FC1=CC(OC1n1c2N=C(NC(=O)c2nc1)N)CO
InChI:   InChI=1/C10H10FN5O3/c11-5-1-4(2-17)19-9(5)16-3-13-6-7(16)14-10(12)15-8(6)18/h1,3-4,9,17H,2H2,(H3,12,14,15,18)/t4-,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)=28.5893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.22 g/mol  logS: -1.9658  SlogP: -0.4798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846844  Sterimol/B1: 2.1736  Sterimol/B2: 3.26826  Sterimol/B3: 4.12456
  Sterimol/B4: 6.60375  Sterimol/L: 12.8267 
 
 Surface and Volume Properties
  Accessible surface: 447.642  Positive charged surface: 295.976  Negative charged surface: 151.666  Volume: 214.75
  Hydrophobic surface: 185.873  Hydrophilic surface: 261.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.