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ACROSORGANICS-ZINC01577196

 MMsINC code: MMs00009433
Type: Ionized
Formula: C8H18O4P-
SMILES:   P(OCCCC)(OCCCC)(=O)[O-]
InChI:   InChI=1/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-27.6287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.202 g/mol  logS: -1.68068  SlogP: 1.018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275444  Sterimol/B1: 2.11973  Sterimol/B2: 3.12522  Sterimol/B3: 3.12746
  Sterimol/B4: 4.80406  Sterimol/L: 17.0001 
 
 Surface and Volume Properties
  Accessible surface: 465.541  Positive charged surface: 323.825  Negative charged surface: 141.716  Volume: 203.75
  Hydrophobic surface: 337.239  Hydrophilic surface: 128.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00009432
ACROSORGANICS-ZINC01577196