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CHEMBLOCK-ZINC03617106

MMsINC code: MMs00537967

Type: Neutral
Formula: C14H13Cl2NO3S
SMILES:   Clc1ccc(OCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChI:   InChI=1/C14H13Cl2NO3S/c15-11-1-5-13(6-2-11)20-10-9-17-21(18,19)14-7-3-12(16)4-8-14/h1-8,17H,9-10H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=35.3348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.234 g/mol  logS: -4.53616  SlogP: 3.3507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785821  Sterimol/B1: 2.70528  Sterimol/B2: 4.05633  Sterimol/B3: 4.63919
  Sterimol/B4: 6.04223  Sterimol/L: 17.6235 
 
 Surface and Volume Properties
  Accessible surface: 562.802  Positive charged surface: 235.147  Negative charged surface: 327.655  Volume: 283.5
  Hydrophobic surface: 479.195  Hydrophilic surface: 83.607
 
 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

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Ions/Tautomers related molecules: no related molecules available.