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PUBCHEM-ZINC01324014

 MMsINC code: MMs02796814
Type: Neutral
Formula: C16H14ClNO2S2
SMILES:   Clc1ccc(S(=O)(=O)NCc2sc3c(cccc3)c2C)cc1
InChI:   InChI=1/C16H14ClNO2S2/c1-11-14-4-2-3-5-15(14)21-16(11)10-18-22(19,20)13-8-6-12(17)7-9-13/h2-9,18H,10H2,1H3

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Potential Energy
Epot(MMFF94)=28.7163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.878 g/mol  logS: -5.53887  SlogP: 4.60802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070562  Sterimol/B1: 2.79554  Sterimol/B2: 3.95126  Sterimol/B3: 4.17917
  Sterimol/B4: 6.47006  Sterimol/L: 16.935 
 
 Surface and Volume Properties
  Accessible surface: 554.982  Positive charged surface: 227.293  Negative charged surface: 322.394  Volume: 299.875
  Hydrophobic surface: 473.107  Hydrophilic surface: 81.875
 
 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.