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ACROSORGANICS-ZINC02164658

 MMsINC code: MMs00012998
Type: Neutral
Formula: C5H10OS
SMILES:   S1CC(O)CCC1
InChI:   InChI=1/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.8799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.2 g/mol  logS: -0.93226  SlogP: 0.8743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209303  Sterimol/B1: 2.56363  Sterimol/B2: 2.91339  Sterimol/B3: 3.21786
  Sterimol/B4: 4.74611  Sterimol/L: 8.64697 
 
 Surface and Volume Properties
  Accessible surface: 282.049  Positive charged surface: 203.17  Negative charged surface: 78.8792  Volume: 116.75
  Hydrophobic surface: 187.5  Hydrophilic surface: 94.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.