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NCID-ZINC01711120

 MMsINC code: MMs02338228
Type: Neutral
Formula: C9H11Cl2NO2S
SMILES:   ClCC(NS(=O)(=O)c1ccccc1)CCl
InChI:   InChI=1/C9H11Cl2NO2S/c10-6-8(7-11)12-15(13,14)9-4-2-1-3-5-9/h1-5,8,12H,6-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.7043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.164 g/mol  logS: -2.75342  SlogP: 1.8111  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.218817  Sterimol/B1: 2.91317  Sterimol/B2: 3.84357  Sterimol/B3: 3.86162
  Sterimol/B4: 5.55248  Sterimol/L: 11.4237 
 
 Surface and Volume Properties
  Accessible surface: 410.279  Positive charged surface: 197.625  Negative charged surface: 212.654  Volume: 215.5
  Hydrophobic surface: 244.675  Hydrophilic surface: 165.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.