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


ACROSORGANICS-ZINC01555329

 MMsINC code: MMs00009137
Type: Neutral
Formula: C10H9NO3S
SMILES:   S(O)(=O)(=O)c1c2c(cccc2)c(N)cc1
InChI:   InChI=1/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)

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)=53.5506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.252 g/mol  logS: -3.03371  SlogP: 1.103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263996  Sterimol/B1: 2.45607  Sterimol/B2: 3.11585  Sterimol/B3: 3.34494
  Sterimol/B4: 6.95489  Sterimol/L: 10.8014 
 
 Surface and Volume Properties
  Accessible surface: 384  Positive charged surface: 178.372  Negative charged surface: 194.557  Volume: 185.125
  Hydrophobic surface: 218.297  Hydrophilic surface: 165.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00009138
ACROSORGANICS-ZINC01555329