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NCID-ZINC01565221

 MMsINC code: MMs02226814
Type: Neutral
Formula: C4H11O3P
SMILES:   P(OC(C)C)(O)(=O)C
InChI:   InChI=1/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-14.896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.103 g/mol  logS: 0.07938  SlogP: 0.1564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167564  Sterimol/B1: 2.40622  Sterimol/B2: 2.51437  Sterimol/B3: 4.01943
  Sterimol/B4: 4.63206  Sterimol/L: 9.74851 
 
 Surface and Volume Properties
  Accessible surface: 327.641  Positive charged surface: 206.447  Negative charged surface: 121.193  Volume: 127
  Hydrophobic surface: 176.545  Hydrophilic surface: 151.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.