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ENAMINE-ZINC02653810

 MMsINC code: MMs01277284
Type: Neutral
Formula: C14H22N2O4S2
SMILES:   s1c(ccc1S(=O)(=O)N1CCOCC1)CC(=O)NC(C)(C)C
InChI:   InChI=1/C14H22N2O4S2/c1-14(2,3)15-12(17)10-11-4-5-13(21-11)22(18,19)16-6-8-20-9-7-16/h4-5H,6-10H2,1-3H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=71.2298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.472 g/mol  logS: -2.89708  SlogP: 1.22617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505838  Sterimol/B1: 2.72353  Sterimol/B2: 2.77767  Sterimol/B3: 4.80717
  Sterimol/B4: 5.26444  Sterimol/L: 17.6178 
 
 Surface and Volume Properties
  Accessible surface: 583.276  Positive charged surface: 392.081  Negative charged surface: 191.195  Volume: 311.5
  Hydrophobic surface: 434.531  Hydrophilic surface: 148.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.