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PUBCHEM-ZINC05474909

 MMsINC code: MMs03279771
Type: Neutral
Formula: C10H15O3P
SMILES:   P(Oc1ccccc1)(OCC)(=O)CC
InChI:   InChI=1/C10H15O3P/c1-3-12-14(11,4-2)13-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.5136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.201 g/mol  logS: -1.96788  SlogP: 2.2447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681041  Sterimol/B1: 2.48206  Sterimol/B2: 3.3353  Sterimol/B3: 3.72159
  Sterimol/B4: 6.39088  Sterimol/L: 13.0522 
 
 Surface and Volume Properties
  Accessible surface: 428.28  Positive charged surface: 270.971  Negative charged surface: 157.309  Volume: 209
  Hydrophobic surface: 353.1  Hydrophilic surface: 75.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.