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IFLAB-ZINC00567787

 MMsINC code: MMs01979182
Type: Neutral
Formula: C11H7Cl2NOS
SMILES:   Clc1ccc(NC(=O)c2sc(Cl)cc2)cc1
InChI:   InChI=1/C11H7Cl2NOS/c12-7-1-3-8(4-2-7)14-11(15)9-5-6-10(13)16-9/h1-6H,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.155 g/mol  logS: -4.94138  SlogP: 4.3072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157198  Sterimol/B1: 2.336  Sterimol/B2: 2.7516  Sterimol/B3: 2.88787
  Sterimol/B4: 4.74659  Sterimol/L: 15.9415 
 
 Surface and Volume Properties
  Accessible surface: 453.155  Positive charged surface: 147.448  Negative charged surface: 305.706  Volume: 221
  Hydrophobic surface: 413.373  Hydrophilic surface: 39.782
 
 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.