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


PUBCHEM-ZINC05931503

 MMsINC code: MMs03449978
Type: Neutral
Formula: C11H14FN5O2
SMILES:   FC1CC(OC1n1c2nc(nc(N)c2nc1)C)CO
InChI:   InChI=1/C11H14FN5O2/c1-5-15-9(13)8-10(16-5)17(4-14-8)11-7(12)2-6(3-18)19-11/h4,6-7,11,18H,2-3H2,1H3,(H2,13,15,16)/t6-,7-,11+/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)=52.0432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.264 g/mol  logS: -1.88551  SlogP: 0.85022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064613  Sterimol/B1: 2.16549  Sterimol/B2: 2.96566  Sterimol/B3: 3.9327
  Sterimol/B4: 6.88812  Sterimol/L: 13.7696 
 
 Surface and Volume Properties
  Accessible surface: 473.558  Positive charged surface: 353.269  Negative charged surface: 120.289  Volume: 230.375
  Hydrophobic surface: 259.087  Hydrophilic surface: 214.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.