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PUBCHEM-ZINC03871578

 MMsINC code: MMs03080536
Type: Neutral
Formula: C5H13O8P
SMILES:   P(OCC(O)C(O)C(O)CO)(O)(O)=O
InChI:   InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-20.8564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.125 g/mol  logS: 1.63458  SlogP: -3.8995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725946  Sterimol/B1: 2.75378  Sterimol/B2: 3.28713  Sterimol/B3: 3.77321
  Sterimol/B4: 3.7887  Sterimol/L: 14.2426 
 
 Surface and Volume Properties
  Accessible surface: 414.066  Positive charged surface: 255.801  Negative charged surface: 158.264  Volume: 177
  Hydrophobic surface: 98.3366  Hydrophilic surface: 315.7294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03080537
PUBCHEM-ZINC03871578