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PUBCHEM-ZINC03632649

 MMsINC code: MMs03028237
Type: Neutral
Formula: C10H14ClO4P
SMILES:   Clc1ccccc1OP(OCC)(OCC)=O
InChI:   InChI=1/C10H14ClO4P/c1-3-13-16(12,14-4-2)15-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.9295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.645 g/mol  logS: -2.95673  SlogP: 2.8297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524139  Sterimol/B1: 2.42508  Sterimol/B2: 3.52376  Sterimol/B3: 4.18524
  Sterimol/B4: 6.94759  Sterimol/L: 13.7493 
 
 Surface and Volume Properties
  Accessible surface: 469.704  Positive charged surface: 251.796  Negative charged surface: 217.907  Volume: 229.375
  Hydrophobic surface: 376.323  Hydrophilic surface: 93.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.