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NCID-ZINC01679594

 MMsINC code: MMs02314167
Type: Neutral
Formula: C14H28N2S3
SMILES:   S(C(=S)N(C(C)C)C(C)C)C(=S)N(C(C)C)C(C)C
InChI:   InChI=1/C14H28N2S3/c1-9(2)15(10(3)4)13(17)19-14(18)16(11(5)6)12(7)8/h9-12H,1-8H3

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Potential Energy
Epot(MMFF94)=217.8 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.59 g/mol  logS: -6.38898  SlogP: 4.527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137389  Sterimol/B1: 2.50712  Sterimol/B2: 3.27627  Sterimol/B3: 4.63886
  Sterimol/B4: 6.71318  Sterimol/L: 13.9476 
 
 Surface and Volume Properties
  Accessible surface: 541.619  Positive charged surface: 323.238  Negative charged surface: 218.382  Volume: 322
  Hydrophobic surface: 319.84  Hydrophilic surface: 221.779
 
 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.