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PUBCHEM-ZINC03644078

 MMsINC code: MMs03032375
Type: Neutral
Formula: C4H11O2PS
SMILES:   S=P(OCC)(O)CC
InChI:   InChI=1/C4H11O2PS/c1-3-6-7(5,8)4-2/h3-4H2,1-2H3,(H,5,8)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.7878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.17 g/mol  logS: -1.1739  SlogP: 1.3446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127908  Sterimol/B1: 2.72283  Sterimol/B2: 2.92904  Sterimol/B3: 4.0416
  Sterimol/B4: 4.90534  Sterimol/L: 10.4702 
 
 Surface and Volume Properties
  Accessible surface: 336.77  Positive charged surface: 203.314  Negative charged surface: 133.457  Volume: 140.625
  Hydrophobic surface: 179.907  Hydrophilic surface: 156.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.