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


NCID-ZINC05758616

 MMsINC code: MMs02494859
Type: Neutral
Formula: C10H12N2O7S
SMILES:   S(OC1C2OCC1OC2N1C=CC(=O)NC1=O)(=O)(=O)C
InChI:   InChI=1/C10H12N2O7S/c1-20(15,16)19-7-5-4-17-8(7)9(18-5)12-3-2-6(13)11-10(12)14/h2-3,5,7-9H,4H2,1H3,(H,11,13,14)/t5-,7+,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)=53.2957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.279 g/mol  logS: -1.13648  SlogP: -1.4796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665691  Sterimol/B1: 3.04553  Sterimol/B2: 3.20272  Sterimol/B3: 3.31158
  Sterimol/B4: 5.04771  Sterimol/L: 14.4889 
 
 Surface and Volume Properties
  Accessible surface: 452.991  Positive charged surface: 248.223  Negative charged surface: 204.768  Volume: 230.5
  Hydrophobic surface: 223.573  Hydrophilic surface: 229.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.