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IBS-ZINC02418446

 MMsINC code: MMs01857615
Type: Neutral
Formula: C15H18N2S4
SMILES:   s1c2c(nc1SCSC(=S)N1CCC(CC1)C)cccc2
InChI:   InChI=1/C15H18N2S4/c1-11-6-8-17(9-7-11)15(18)20-10-19-14-16-12-4-2-3-5-13(12)21-14/h2-5,11H,6-10H2,1H3

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Potential Energy
Epot(MMFF94)=62.8651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.587 g/mol  logS: -7.25432  SlogP: 5.0959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843029  Sterimol/B1: 2.186  Sterimol/B2: 3.64273  Sterimol/B3: 4.24644
  Sterimol/B4: 8.07081  Sterimol/L: 15.5279 
 
 Surface and Volume Properties
  Accessible surface: 578.942  Positive charged surface: 338.755  Negative charged surface: 240.187  Volume: 317.75
  Hydrophobic surface: 417.753  Hydrophilic surface: 161.189
 
 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.