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AURORAFEINCHEMIE-ZINC03921490

 MMsINC code: MMs00457947
Type: Ionized
Formula: C8H18O4P-
SMILES:   P(=O)([O-])(C(O)C(C)C)C(O)C(C)C
InChI:   InChI=1/C8H19O4P/c1-5(2)7(9)13(11,12)8(10)6(3)4/h5-10H,1-4H3,(H,11,12)/p-1/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=27.7074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.202 g/mol  logS: 0.09896  SlogP: -0.4966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107775  Sterimol/B1: 2.45372  Sterimol/B2: 3.29977  Sterimol/B3: 3.66287
  Sterimol/B4: 4.69832  Sterimol/L: 12.4156 
 
 Surface and Volume Properties
  Accessible surface: 403.894  Positive charged surface: 258.401  Negative charged surface: 145.493  Volume: 199.75
  Hydrophobic surface: 236.88  Hydrophilic surface: 167.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00457946
AURORAFEINCHEMIE-ZINC03921490