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NCID-ZINC01604836

 MMsINC code: MMs02257205
Type: Neutral
Formula: C13H24N2S3
SMILES:   S(NC1CCCCC1)C(SNC1CCCCC1)=S
InChI:   InChI=1/C13H24N2S3/c16-13(17-14-11-7-3-1-4-8-11)18-15-12-9-5-2-6-10-12/h11-12,14-15H,1-10H2

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Potential Energy
Epot(MMFF94)=59.7648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.547 g/mol  logS: -5.60771  SlogP: 4.4123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305583  Sterimol/B1: 3.39641  Sterimol/B2: 3.45396  Sterimol/B3: 3.65704
  Sterimol/B4: 3.80328  Sterimol/L: 18.8288 
 
 Surface and Volume Properties
  Accessible surface: 565.927  Positive charged surface: 370.105  Negative charged surface: 195.822  Volume: 295.375
  Hydrophobic surface: 492.95  Hydrophilic surface: 72.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.