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MAYBRIDGE-ZINC00142651

 MMsINC code: MMs02139880
Type: Neutral
Formula: C9H17NO3S
SMILES:   S(=O)(=O)(CC(=O)NC1CCCCC1)C
InChI:   InChI=1/C9H17NO3S/c1-14(12,13)7-9(11)10-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=7.02381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.305 g/mol  logS: -1.34542  SlogP: 0.4799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0637552  Sterimol/B1: 2.89368  Sterimol/B2: 3.66377  Sterimol/B3: 3.86218
  Sterimol/B4: 3.94368  Sterimol/L: 14.2544 
 
 Surface and Volume Properties
  Accessible surface: 430.689  Positive charged surface: 290.708  Negative charged surface: 139.981  Volume: 203.125
  Hydrophobic surface: 327.392  Hydrophilic surface: 103.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.