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ACROSORGANICS-ZINC01710230

 MMsINC code: MMs00011527
Type: Neutral
Formula: C8H17NO3S
SMILES:   S(O)(=O)(=O)CCNC1CCCCC1
InChI:   InChI=1/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)

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Potential Energy
Epot(MMFF94)=-8.82999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.294 g/mol  logS: -0.84917  SlogP: 0.2308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764949  Sterimol/B1: 2.91517  Sterimol/B2: 3.51354  Sterimol/B3: 3.61101
  Sterimol/B4: 4.17117  Sterimol/L: 13.7644 
 
 Surface and Volume Properties
  Accessible surface: 413.997  Positive charged surface: 275.041  Negative charged surface: 138.955  Volume: 189.25
  Hydrophobic surface: 274.391  Hydrophilic surface: 139.606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.