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NCID-ZINC01705257

 MMsINC code: MMs02333866
Type: Neutral
Formula: C4H9O4P
SMILES:   P1(OC(CO1)C)(OC)=O
InChI:   InChI=1/C4H9O4P/c1-4-3-7-9(5,6-2)8-4/h4H,3H2,1-2H3/t4-,9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.87816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.086 g/mol  logS: -0.34199  SlogP: 0.106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107251  Sterimol/B1: 2.51316  Sterimol/B2: 2.99741  Sterimol/B3: 3.76153
  Sterimol/B4: 3.93965  Sterimol/L: 10.5803 
 
 Surface and Volume Properties
  Accessible surface: 317.17  Positive charged surface: 222.16  Negative charged surface: 95.0098  Volume: 124.25
  Hydrophobic surface: 215.397  Hydrophilic surface: 101.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.