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ACROSORGANICS-ZINC05735726

 MMsINC code: MMs00018775
Type: Neutral
Formula: C5H10O2S
SMILES:   S1(=O)(=O)CC(CC1)C
InChI:   InChI=1/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.0638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.199 g/mol  logS: -0.45586  SlogP: 0.441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246184  Sterimol/B1: 3.10595  Sterimol/B2: 3.25386  Sterimol/B3: 3.51121
  Sterimol/B4: 3.62294  Sterimol/L: 8.52166 
 
 Surface and Volume Properties
  Accessible surface: 294.365  Positive charged surface: 175.268  Negative charged surface: 119.097  Volume: 121.125
  Hydrophobic surface: 195.858  Hydrophilic surface: 98.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.