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ALFAAESAR-ZINC02040945

 MMsINC code: MMs00022511
Type: Neutral
Formula: C3H9O3PS
SMILES:   S=P(OC)(OC)OC
InChI:   InChI=1/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.05822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.142 g/mol  logS: -1.11922  SlogP: 1.1501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111149  Sterimol/B1: 2.37575  Sterimol/B2: 2.44804  Sterimol/B3: 4.16617
  Sterimol/B4: 5.61833  Sterimol/L: 9.49765 
 
 Surface and Volume Properties
  Accessible surface: 317.899  Positive charged surface: 237.709  Negative charged surface: 80.1904  Volume: 131
  Hydrophobic surface: 234.002  Hydrophilic surface: 83.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.