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NCID-ZINC01568300

 MMsINC code: MMs02229216
Type: Neutral
Formula: C4H11O4P
SMILES:   P(O)(O)(=O)C(O)(CC)C
InChI:   InChI=1/C4H11O4P/c1-3-4(2,5)9(6,7)8/h5H,3H2,1-2H3,(H2,6,7,8)/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.25654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: 0.36937  SlogP: -0.7876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304734  Sterimol/B1: 3.31376  Sterimol/B2: 3.52726  Sterimol/B3: 3.66159
  Sterimol/B4: 3.72472  Sterimol/L: 9.65074 
 
 Surface and Volume Properties
  Accessible surface: 309.71  Positive charged surface: 182.662  Negative charged surface: 127.047  Volume: 130
  Hydrophobic surface: 113.242  Hydrophilic surface: 196.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.