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PUBCHEM-ZINC00663077

 MMsINC code: MMs02722742
Type: Neutral
Formula: C11H7ClINOS
SMILES:   Ic1ccccc1NC(=O)c1sc(Cl)cc1
InChI:   InChI=1/C11H7ClINOS/c12-10-6-5-9(16-10)11(15)14-8-4-2-1-3-7(8)13/h1-6H,(H,14,15)

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Potential Energy
Epot(MMFF94)=48.1985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.606 g/mol  logS: -5.19861  SlogP: 4.2584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105279  Sterimol/B1: 2.37559  Sterimol/B2: 2.49641  Sterimol/B3: 3.13602
  Sterimol/B4: 6.92263  Sterimol/L: 14.7136 
 
 Surface and Volume Properties
  Accessible surface: 467.261  Positive charged surface: 141.838  Negative charged surface: 325.423  Volume: 234.875
  Hydrophobic surface: 436.899  Hydrophilic surface: 30.362
 
 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.