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BACHEM-ZINC01626950

 MMsINC code: MMs00482460
Type: Neutral
Formula: C14H28N2O4S2
SMILES:   S(SCC(N)C(OC(C)(C)C)=O)CC(N)C(OC(C)(C)C)=O
InChI:   InChI=1/C14H28N2O4S2/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=114.725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.52 g/mol  logS: -3.84854  SlogP: 1.7058  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0637035  Sterimol/B1: 2.70901  Sterimol/B2: 3.87406  Sterimol/B3: 4.89475
  Sterimol/B4: 5.07519  Sterimol/L: 17.9705 
 
 Surface and Volume Properties
  Accessible surface: 631.363  Positive charged surface: 431.924  Negative charged surface: 199.439  Volume: 334.5
  Hydrophobic surface: 355.708  Hydrophilic surface: 275.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.