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CHEMDIV-ZINC05150569

 MMsINC code: MMs00992940
Type: Neutral
Formula: C19H13Cl2NOS2
SMILES:   Clc1cc(ccc1NC(=O)c1sc-2c(c1)CSc1cc(Cl)ccc1-2)C
InChI:   InChI=1/C19H13Cl2NOS2/c1-10-2-5-15(14(21)6-10)22-19(23)17-7-11-9-24-16-8-12(20)3-4-13(16)18(11)25-17/h2-8H,9H2,1H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=80.7444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.357 g/mol  logS: -8.64302  SlogP: 7.15472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135445  Sterimol/B1: 2.5049  Sterimol/B2: 3.46959  Sterimol/B3: 4.60654
  Sterimol/B4: 5.22105  Sterimol/L: 19.8322 
 
 Surface and Volume Properties
  Accessible surface: 624.474  Positive charged surface: 252.898  Negative charged surface: 371.576  Volume: 342.625
  Hydrophobic surface: 540.551  Hydrophilic surface: 83.923
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.