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PUBCHEM-ZINC05748509

 MMsINC code: MMs03369622
Type: Neutral
Formula: C9H20N2O2S
SMILES:   S(=O)(=O)(NC1CCCCC1C)N(C)C
InChI:   InChI=1/C9H20N2O2S/c1-8-6-4-5-7-9(8)10-14(12,13)11(2)3/h8-10H,4-7H2,1-3H3/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=-23.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.337 g/mol  logS: -0.84478  SlogP: 0.9611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226734  Sterimol/B1: 2.23537  Sterimol/B2: 3.485  Sterimol/B3: 4.0402
  Sterimol/B4: 6.56193  Sterimol/L: 10.9179 
 
 Surface and Volume Properties
  Accessible surface: 403.191  Positive charged surface: 304.012  Negative charged surface: 99.1797  Volume: 213.75
  Hydrophobic surface: 319.871  Hydrophilic surface: 83.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.