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ACROSORGANICS-ZINC03861590

 MMsINC code: MMs00016009
Type: Neutral
Formula: C4H10O2S
SMILES:   S(CC(O)CO)C
InChI:   InChI=1/C4H10O2S/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.0574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.188 g/mol  logS: -0.17734  SlogP: -0.2974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0860876  Sterimol/B1: 2.74337  Sterimol/B2: 2.88158  Sterimol/B3: 3.03562
  Sterimol/B4: 3.60323  Sterimol/L: 11.0225 
 
 Surface and Volume Properties
  Accessible surface: 305.672  Positive charged surface: 205.012  Negative charged surface: 100.66  Volume: 117.25
  Hydrophobic surface: 172.53  Hydrophilic surface: 133.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.