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NCID-ZINC01711559

 MMsINC code: MMs02338562
Type: Neutral
Formula: C10H20NO2S+
SMILES:   S1(=O)(=O)CC([N+]2(CCCCC2)C)C1C
InChI:   InChI=1/C10H20NO2S/c1-9-10(8-14(9,12)13)11(2)6-4-3-5-7-11/h9-10H,3-8H2,1-2H3/q+1/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=74.6202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.341 g/mol  logS: -0.69942  SlogP: 0.8024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252799  Sterimol/B1: 2.2811  Sterimol/B2: 3.73755  Sterimol/B3: 3.89954
  Sterimol/B4: 5.33954  Sterimol/L: 11.2502 
 
 Surface and Volume Properties
  Accessible surface: 391.652  Positive charged surface: 235.185  Negative charged surface: 116.205  Volume: 206.875
  Hydrophobic surface: 274.522  Hydrophilic surface: 117.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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.