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NCID-ZINC01765079

 MMsINC code: MMs02369321
Type: Neutral
Formula: C8H18OS
SMILES:   S(=O)(C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C8H18OS/c1-7(2,3)10(9)8(4,5)6/h1-6H3

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Potential Energy
Epot(MMFF94)=84.7391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.297 g/mol  logS: -1.81445  SlogP: 2.3321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.307717  Sterimol/B1: 2.31231  Sterimol/B2: 2.46419  Sterimol/B3: 4.31355
  Sterimol/B4: 4.63259  Sterimol/L: 10.0563 
 
 Surface and Volume Properties
  Accessible surface: 342.504  Positive charged surface: 227.815  Negative charged surface: 114.688  Volume: 172.25
  Hydrophobic surface: 227.815  Hydrophilic surface: 114.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.