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


PUBCHEM-ZINC05663389

 MMsINC code: MMs03339478
Type: Ionized
Formula: C7H10NO4S-
SMILES:   S(C(NC(=O)C)(C(=O)[O-])C)C(=O)C
InChI:   InChI=1/C7H11NO4S/c1-4(9)8-7(3,6(11)12)13-5(2)10/h1-3H3,(H,8,9)(H,11,12)/p-1/t7-/m0/s1

Download   format file 
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)=34.8967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: -1.79648  SlogP: -1.1317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180617  Sterimol/B1: 2.17179  Sterimol/B2: 3.10836  Sterimol/B3: 4.01461
  Sterimol/B4: 6.67933  Sterimol/L: 11.0183 
 
 Surface and Volume Properties
  Accessible surface: 378.214  Positive charged surface: 180.684  Negative charged surface: 197.53  Volume: 176.75
  Hydrophobic surface: 198.802  Hydrophilic surface: 179.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs03339477
PUBCHEM-ZINC05663389