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


APOLLO-ZINC02454746

 MMsINC code: MMs00052235
Type: Neutral
Formula: C10H15NO3S
SMILES:   S(=O)(=O)(N)c1ccc(OCCCC)cc1
InChI:   InChI=1/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)

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)=8.72216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -2.70607  SlogP: 1.5129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346634  Sterimol/B1: 2.96194  Sterimol/B2: 3.12628  Sterimol/B3: 3.3293
  Sterimol/B4: 4.34201  Sterimol/L: 15.4838 
 
 Surface and Volume Properties
  Accessible surface: 455.108  Positive charged surface: 278.467  Negative charged surface: 176.642  Volume: 210.125
  Hydrophobic surface: 293.219  Hydrophilic surface: 161.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00052236
APOLLO-ZINC02454746