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PUBCHEM-ZINC06762792

 MMsINC code: MMs03856190
Type: Neutral
Formula: C9H10ClNO2S3
SMILES:   Clc1ccccc1S(=O)(=O)N=C(SC)SC
InChI:   InChI=1/C9H10ClNO2S3/c1-14-9(15-2)11-16(12,13)8-6-4-3-5-7(8)10/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.7676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.835 g/mol  logS: -4.89358  SlogP: 3.1107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089821  Sterimol/B1: 2.82877  Sterimol/B2: 3.29111  Sterimol/B3: 3.97926
  Sterimol/B4: 6.20742  Sterimol/L: 13.6153 
 
 Surface and Volume Properties
  Accessible surface: 459.881  Positive charged surface: 190.32  Negative charged surface: 269.561  Volume: 234.875
  Hydrophobic surface: 346.876  Hydrophilic surface: 113.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.