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PUBCHEM-ZINC03622065

 MMsINC code: MMs03024519
Type: Neutral
Formula: C8H19O3PS
SMILES:   S=P(OC(CC)C)(OCC)OCC
InChI:   InChI=1/C8H19O3PS/c1-5-8(4)11-12(13,9-6-2)10-7-3/h8H,5-7H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=5.17873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.277 g/mol  logS: -2.62983  SlogP: 3.099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161151  Sterimol/B1: 2.31616  Sterimol/B2: 5.03257  Sterimol/B3: 5.32492
  Sterimol/B4: 5.78193  Sterimol/L: 12.2334 
 
 Surface and Volume Properties
  Accessible surface: 443.959  Positive charged surface: 299.865  Negative charged surface: 144.094  Volume: 219.5
  Hydrophobic surface: 302.855  Hydrophilic surface: 141.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.