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NCID-ZINC01744199

 MMsINC code: MMs02360199
Type: Neutral
Formula: C6H14N2O4S2
SMILES:   S(S(O)(=O)=O)NCCN1CCOCC1
InChI:   InChI=1/C6H14N2O4S2/c9-14(10,11)13-7-1-2-8-3-5-12-6-4-8/h7H,1-6H2,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=50.1366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.32 g/mol  logS: -0.60155  SlogP: -1.2065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052486  Sterimol/B1: 2.41686  Sterimol/B2: 3.01356  Sterimol/B3: 3.18748
  Sterimol/B4: 5.10362  Sterimol/L: 14.0636 
 
 Surface and Volume Properties
  Accessible surface: 431.493  Positive charged surface: 281.067  Negative charged surface: 150.425  Volume: 193.75
  Hydrophobic surface: 271.096  Hydrophilic surface: 160.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.