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ACROSORGANICS-ZINC02004377

 MMsINC code: MMs00012275
Type: Neutral
Formula: C7H15NO4S
SMILES:   S(O)(=O)(=O)CCCN1CCOCC1
InChI:   InChI=1/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=22.4546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.266 g/mol  logS: -0.00223  SlogP: -0.9692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722361  Sterimol/B1: 2.42623  Sterimol/B2: 2.97694  Sterimol/B3: 3.6231
  Sterimol/B4: 5.23415  Sterimol/L: 13.2473 
 
 Surface and Volume Properties
  Accessible surface: 398.753  Positive charged surface: 285.589  Negative charged surface: 113.164  Volume: 181.875
  Hydrophobic surface: 259.854  Hydrophilic surface: 138.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.