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


NCID-ZINC05848533

 MMsINC code: MMs02507261
Type: Neutral
Formula: C11H16FN3O4
SMILES:   FC1CC(OC1CO)N1C=C(COC)C(=NC1=O)N
InChI:   InChI=1/C11H16FN3O4/c1-18-5-6-3-15(11(17)14-10(6)13)9-2-7(12)8(4-16)19-9/h3,7-9,16H,2,4-5H2,1H3,(H2,13,14,17)/t7-,8+,9+/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)=29.1003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.264 g/mol  logS: -1.15518  SlogP: 0.1748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534704  Sterimol/B1: 2.38667  Sterimol/B2: 2.98041  Sterimol/B3: 3.0574
  Sterimol/B4: 8.26032  Sterimol/L: 11.9399 
 
 Surface and Volume Properties
  Accessible surface: 484.39  Positive charged surface: 353.609  Negative charged surface: 130.781  Volume: 234.25
  Hydrophobic surface: 260.856  Hydrophilic surface: 223.534
 
 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.