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AURORAFEINCHEMIE-ZINC03921490

 MMsINC code: MMs00457946
Type: Neutral
Formula: C8H19O4P
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)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=72.2346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: 0.17048  SlogP: 0.1354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139968  Sterimol/B1: 2.56497  Sterimol/B2: 3.38333  Sterimol/B3: 3.75094
  Sterimol/B4: 4.41373  Sterimol/L: 12.6047 
 
 Surface and Volume Properties
  Accessible surface: 397.265  Positive charged surface: 261.237  Negative charged surface: 136.028  Volume: 199.75
  Hydrophobic surface: 216.212  Hydrophilic surface: 181.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00457947
AURORAFEINCHEMIE-ZINC03921490