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PUBCHEM-ZINC01907262

 MMsINC code: MMs02829370
Type: Neutral
Formula: C15H10Cl2N2S2
SMILES:   Clc1cc(ccc1Cl)CSc1sc(nn1)-c1ccccc1
InChI:   InChI=1/C15H10Cl2N2S2/c16-12-7-6-10(8-13(12)17)9-20-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=58.7194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.297 g/mol  logS: -8.26663  SlogP: 6.0706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0370968  Sterimol/B1: 3.60838  Sterimol/B2: 3.70807  Sterimol/B3: 3.77818
  Sterimol/B4: 4.64305  Sterimol/L: 19.7554 
 
 Surface and Volume Properties
  Accessible surface: 575.516  Positive charged surface: 211.505  Negative charged surface: 364.01  Volume: 295.625
  Hydrophobic surface: 487.817  Hydrophilic surface: 87.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.