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PUBCHEM-ZINC02530767

 MMsINC code: MMs02894680
Type: Neutral
Formula: C7H17O3PS
SMILES:   S(P(OCC)(OCC)=O)CCC
InChI:   InChI=1/C7H17O3PS/c1-4-7-12-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.0198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.25 g/mol  logS: -1.89858  SlogP: 2.2405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158521  Sterimol/B1: 2.40213  Sterimol/B2: 2.49526  Sterimol/B3: 4.87973
  Sterimol/B4: 7.32468  Sterimol/L: 11.9696 
 
 Surface and Volume Properties
  Accessible surface: 439.633  Positive charged surface: 288.699  Negative charged surface: 150.934  Volume: 202.625
  Hydrophobic surface: 286.791  Hydrophilic surface: 152.842
 
 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.