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PUBCHEM-ZINC05591237

 MMsINC code: MMs03315859
Type: Neutral
Formula: C5H14N2O2S
SMILES:   S(=O)(=O)(N(C)C)NCCC
InChI:   InChI=1/C5H14N2O2S/c1-4-5-6-10(8,9)7(2)3/h6H,4-5H2,1-3H3

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Potential Energy
Epot(MMFF94)=-37.2324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.245 g/mol  logS: 0.29915  SlogP: -0.2076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141076  Sterimol/B1: 2.93227  Sterimol/B2: 2.93685  Sterimol/B3: 4.40642
  Sterimol/B4: 4.57296  Sterimol/L: 11.4495 
 
 Surface and Volume Properties
  Accessible surface: 360.567  Positive charged surface: 273.071  Negative charged surface: 87.4958  Volume: 155.75
  Hydrophobic surface: 255.292  Hydrophilic surface: 105.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.