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ENAMINE-ZINC03292374

 MMsINC code: MMs01353943
Type: Neutral
Formula: C9H16N2O4S
SMILES:   S1(=O)(=O)CC(NC(=O)N2CCOCC2)CC1
InChI:   InChI=1/C9H16N2O4S/c12-9(11-2-4-15-5-3-11)10-8-1-6-16(13,14)7-8/h8H,1-7H2,(H,10,12)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=17.8307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.303 g/mol  logS: -0.2516  SlogP: -0.7847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108562  Sterimol/B1: 2.53767  Sterimol/B2: 2.81456  Sterimol/B3: 4.63046
  Sterimol/B4: 4.83669  Sterimol/L: 12.6664 
 
 Surface and Volume Properties
  Accessible surface: 439.843  Positive charged surface: 308.818  Negative charged surface: 131.026  Volume: 213
  Hydrophobic surface: 314.374  Hydrophilic surface: 125.469
 
 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.