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ENAMINE-ZINC06879613

 MMsINC code: MMs01708439
Type: Neutral
Formula: C11H20N2O3S3
SMILES:   S(CC(=O)NC1CCS(=O)(=O)C1)C(=S)N(CC)CC
InChI:   InChI=1/C11H20N2O3S3/c1-3-13(4-2)11(17)18-7-10(14)12-9-5-6-19(15,16)8-9/h9H,3-8H2,1-2H3,(H,12,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=43.8769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.49 g/mol  logS: -3.46563  SlogP: 0.6496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038671  Sterimol/B1: 2.3617  Sterimol/B2: 2.75602  Sterimol/B3: 3.99173
  Sterimol/B4: 6.5988  Sterimol/L: 16.4075 
 
 Surface and Volume Properties
  Accessible surface: 553.727  Positive charged surface: 329.415  Negative charged surface: 224.312  Volume: 284.75
  Hydrophobic surface: 321.026  Hydrophilic surface: 232.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.