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CHEMSTAR-ZINC03099483

 MMsINC code: MMs01083214
Type: Neutral
Formula: C3H9O2PS
SMILES:   S=P(OCC)(O)C
InChI:   InChI=1/C3H9O2PS/c1-3-5-6(2,4)7/h3H2,1-2H3,(H,4,7)/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.5625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.143 g/mol  logS: -0.84669  SlogP: 0.9545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181746  Sterimol/B1: 2.56257  Sterimol/B2: 3.39816  Sterimol/B3: 3.55902
  Sterimol/B4: 4.97144  Sterimol/L: 9.47787 
 
 Surface and Volume Properties
  Accessible surface: 313.773  Positive charged surface: 178.101  Negative charged surface: 135.672  Volume: 122.375
  Hydrophobic surface: 148.226  Hydrophilic surface: 165.547
 
 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.