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PUBCHEM-ZINC03869215

 MMsINC code: MMs03078334
Type: Neutral
Formula: C5H13O7P
SMILES:   P(OCC(O)C(O)(CO)C)(O)(O)=O
InChI:   InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=-21.0377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.126 g/mol  logS: 1.10483  SlogP: -2.8703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114895  Sterimol/B1: 2.11622  Sterimol/B2: 2.57884  Sterimol/B3: 4.18759
  Sterimol/B4: 4.554  Sterimol/L: 13.0016 
 
 Surface and Volume Properties
  Accessible surface: 393.817  Positive charged surface: 241.389  Negative charged surface: 152.428  Volume: 169
  Hydrophobic surface: 103.164  Hydrophilic surface: 290.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs03078335
PUBCHEM-ZINC03869215