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NCID-ZINC01626920

 MMsINC code: MMs02273248
Type: Neutral
Formula: C6H10O2S
SMILES:   S(C(=O)C)CCC(=O)C
InChI:   InChI=1/C6H10O2S/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=5.89693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.21 g/mol  logS: -1.19772  SlogP: 1.2452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0356586  Sterimol/B1: 2.3755  Sterimol/B2: 2.51206  Sterimol/B3: 2.93439
  Sterimol/B4: 3.47784  Sterimol/L: 12.2667 
 
 Surface and Volume Properties
  Accessible surface: 347.946  Positive charged surface: 203.817  Negative charged surface: 144.129  Volume: 140.75
  Hydrophobic surface: 236.295  Hydrophilic surface: 111.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.