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ASINEX-ZINC01788238

 MMsINC code: MMs00257513
Type: Neutral
Formula: C14H8ClNO2S2
SMILES:   Clc1cc(ccc1)-c1oc(cc1)\C=C\1/SC(=O)NC/1=S
InChI:   InChI=1/C14H8ClNO2S2/c15-9-3-1-2-8(6-9)11-5-4-10(18-11)7-12-13(19)16-14(17)20-12/h1-7H,(H,16,17,19)/b12-7-

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Potential Energy
Epot(MMFF94)=32.7741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.808 g/mol  logS: -7.22498  SlogP: 4.7247  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.32844e-07  Sterimol/B1: 2.33189  Sterimol/B2: 2.33411  Sterimol/B3: 3.14786
  Sterimol/B4: 7.24798  Sterimol/L: 16.2574 
 
 Surface and Volume Properties
  Accessible surface: 509.9  Positive charged surface: 186.618  Negative charged surface: 323.283  Volume: 264.75
  Hydrophobic surface: 322.054  Hydrophilic surface: 187.846
 
 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.