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ACROSORGANICS-ZINC01659806

 MMsINC code: MMs00010336
Type: Neutral
Formula: C8H18N2O4S
SMILES:   S(O)(=O)(=O)CCN1CCN(CC1)CCO
InChI:   InChI=1/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=43.3932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.308 g/mol  logS: 0.64683  SlogP: -2.0816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726314  Sterimol/B1: 2.47271  Sterimol/B2: 2.86174  Sterimol/B3: 3.57321
  Sterimol/B4: 4.97085  Sterimol/L: 14.3162 
 
 Surface and Volume Properties
  Accessible surface: 440.137  Positive charged surface: 324.748  Negative charged surface: 115.39  Volume: 209.375
  Hydrophobic surface: 262.2  Hydrophilic surface: 177.937
 
 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.