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NCID-ZINC04958245

MMsINC code: MMs02418451

Type: Neutral
Formula: C12H10ClNOS
SMILES:   Clc1ccc(NS(=O)c2ccccc2)cc1
InChI:   InChI=1/C12H10ClNOS/c13-10-6-8-11(9-7-10)14-16(15)12-4-2-1-3-5-12/h1-9,14H/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=69.3559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.737 g/mol  logS: -3.93049  SlogP: 3.4747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581923  Sterimol/B1: 2.93948  Sterimol/B2: 3.02911  Sterimol/B3: 3.21371
  Sterimol/B4: 4.09817  Sterimol/L: 15.5789 
 
 Surface and Volume Properties
  Accessible surface: 450.788  Positive charged surface: 202.37  Negative charged surface: 248.419  Volume: 221.125
  Hydrophobic surface: 399.528  Hydrophilic surface: 51.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.