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


NCID-ZINC05080659

 MMsINC code: MMs02437248
Type: Neutral
Formula: C10H13FN2O7S
SMILES:   S(OC1CC(OC1CO)N1C=C(F)C(=O)NC1=O)(=O)(=O)C
InChI:   InChI=1/C10H13FN2O7S/c1-21(17,18)20-6-2-8(19-7(6)4-14)13-3-5(11)9(15)12-10(13)16/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7-,8+/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)=45.7591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.285 g/mol  logS: -1.23347  SlogP: -1.0899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112159  Sterimol/B1: 2.11243  Sterimol/B2: 3.64565  Sterimol/B3: 4.09029
  Sterimol/B4: 8.14963  Sterimol/L: 13.6387 
 
 Surface and Volume Properties
  Accessible surface: 471.499  Positive charged surface: 246.202  Negative charged surface: 225.297  Volume: 240.125
  Hydrophobic surface: 217.352  Hydrophilic surface: 254.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.