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ASINEX-ZINC00029689

 MMsINC code: MMs00059901
Type: Neutral
Formula: C7H15NO3S
SMILES:   S(=O)(=O)(N1CC(OC(C1)C)C)C
InChI:   InChI=1/C7H15NO3S/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=35.0392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.267 g/mol  logS: -0.42048  SlogP: 0.0552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.35546  Sterimol/B1: 2.83646  Sterimol/B2: 3.62848  Sterimol/B3: 4.33001
  Sterimol/B4: 4.99965  Sterimol/L: 9.94137 
 
 Surface and Volume Properties
  Accessible surface: 363.771  Positive charged surface: 236.926  Negative charged surface: 126.845  Volume: 173.125
  Hydrophobic surface: 247.051  Hydrophilic surface: 116.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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.