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APOLLO-ZINC00163055

 MMsINC code: MMs00046971
Type: Neutral
Formula: C11H12Cl2N2S2
SMILES:   Clc1nc(Cl)cc(c1)CSC(=S)N1CCCC1
InChI:   InChI=1/C11H12Cl2N2S2/c12-9-5-8(6-10(13)14-9)7-17-11(16)15-3-1-2-4-15/h5-6H,1-4,7H2

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Potential Energy
Epot(MMFF94)=35.9823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.269 g/mol  logS: -5.3301  SlogP: 4.2687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889273  Sterimol/B1: 3.53054  Sterimol/B2: 3.77345  Sterimol/B3: 4.75074
  Sterimol/B4: 5.29819  Sterimol/L: 14.8006 
 
 Surface and Volume Properties
  Accessible surface: 515.719  Positive charged surface: 234.324  Negative charged surface: 281.395  Volume: 258.75
  Hydrophobic surface: 399.234  Hydrophilic surface: 116.485
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.