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PUBCHEM-ZINC05207942

 MMsINC code: MMs03223982
Type: Neutral
Formula: C8H19N3O3S
SMILES:   S(=O)(=O)(N(C)C)NCCN1CCOCC1
InChI:   InChI=1/C8H19N3O3S/c1-10(2)15(12,13)9-3-4-11-5-7-14-8-6-11/h9H,3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=4.22271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.324 g/mol  logS: 0.63876  SlogP: -1.2854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0892931  Sterimol/B1: 2.34691  Sterimol/B2: 3.90115  Sterimol/B3: 4.32838
  Sterimol/B4: 4.96139  Sterimol/L: 13.4486 
 
 Surface and Volume Properties
  Accessible surface: 448.724  Positive charged surface: 374.668  Negative charged surface: 74.0555  Volume: 217.375
  Hydrophobic surface: 351.193  Hydrophilic surface: 97.531
 
 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


MMs03223983
PUBCHEM-ZINC05207942