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CHEMBLOCK-ZINC01296250

 MMsINC code: MMs00518108
Type: Neutral
Formula: C7H7ClOS
SMILES:   ClCc1cc(sc1)C(=O)C
InChI:   InChI=1/C7H7ClOS/c1-5(9)7-2-6(3-8)4-10-7/h2,4H,3H2,1H3

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Potential Energy
Epot(MMFF94)=22.9946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.651 g/mol  logS: -2.24266  SlogP: 2.9559  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0445126  Sterimol/B1: 2.3574  Sterimol/B2: 3.55399  Sterimol/B3: 3.69251
  Sterimol/B4: 3.80066  Sterimol/L: 11.2352 
 
 Surface and Volume Properties
  Accessible surface: 341.119  Positive charged surface: 142.947  Negative charged surface: 198.172  Volume: 150.875
  Hydrophobic surface: 220.377  Hydrophilic surface: 120.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.