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NCID-ZINC01705246

 MMsINC code: MMs02333857
Type: Neutral
Formula: C5H11O3P
SMILES:   P1(OC(C)C(O1)C)OC
InChI:   InChI=1/C5H11O3P/c1-4-5(2)8-9(6-3)7-4/h4-5H,1-3H3/t4-,5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.7551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.114 g/mol  logS: -0.81868  SlogP: 1.6835  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.087009  Sterimol/B1: 2.36014  Sterimol/B2: 2.83359  Sterimol/B3: 3.06146
  Sterimol/B4: 5.65891  Sterimol/L: 10.5561 
 
 Surface and Volume Properties
  Accessible surface: 333.6  Positive charged surface: 256.719  Negative charged surface: 76.8808  Volume: 136.375
  Hydrophobic surface: 226.706  Hydrophilic surface: 106.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.