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PUBCHEM-ZINC05462922

 MMsINC code: MMs03276884
Type: Neutral
Formula: C9H17O5P
SMILES:   P(OCC)(OCC)(=O)C1(OC(=O)CC1)C
InChI:   InChI=1/C9H17O5P/c1-4-12-15(11,13-5-2)9(3)7-6-8(10)14-9/h4-7H2,1-3H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.204 g/mol  logS: -1.28967  SlogP: 1.2355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149118  Sterimol/B1: 2.3453  Sterimol/B2: 3.43546  Sterimol/B3: 3.98376
  Sterimol/B4: 8.09246  Sterimol/L: 11.6242 
 
 Surface and Volume Properties
  Accessible surface: 455.855  Positive charged surface: 299.434  Negative charged surface: 156.421  Volume: 213.125
  Hydrophobic surface: 300.71  Hydrophilic surface: 155.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.