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PUBCHEM-ZINC03643244

 MMsINC code: MMs03032149
Type: Neutral
Formula: C5H13O2PS
SMILES:   S(P(OC)(=O)CCC)C
InChI:   InChI=1/C5H13O2PS/c1-4-5-8(6,7-2)9-3/h4-5H2,1-3H3/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.25542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.197 g/mol  logS: -0.9896  SlogP: 1.5287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111615  Sterimol/B1: 2.46202  Sterimol/B2: 3.3462  Sterimol/B3: 3.82078
  Sterimol/B4: 5.06532  Sterimol/L: 10.9927 
 
 Surface and Volume Properties
  Accessible surface: 356.645  Positive charged surface: 229.96  Negative charged surface: 126.685  Volume: 159.75
  Hydrophobic surface: 263.205  Hydrophilic surface: 93.44
 
 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.