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PUBCHEM-ZINC05090912

 MMsINC code: MMs03198213
Type: Neutral
Formula: C16H11Cl2NO3S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1c2c(cccc2)c(O)cc1
InChI:   InChI=1/C16H11Cl2NO3S/c17-10-5-6-13(18)16(9-10)23(21,22)19-14-7-8-15(20)12-4-2-1-3-11(12)14/h1-9,19-20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.24 g/mol  logS: -6.03123  SlogP: 4.653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084573  Sterimol/B1: 3.31716  Sterimol/B2: 3.72083  Sterimol/B3: 4.37588
  Sterimol/B4: 6.54029  Sterimol/L: 14.252 
 
 Surface and Volume Properties
  Accessible surface: 527.014  Positive charged surface: 194.746  Negative charged surface: 322.249  Volume: 294
  Hydrophobic surface: 413.876  Hydrophilic surface: 113.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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
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Ions/Tautomers related molecules: no related molecules available.