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PUBCHEM-ZINC04096159

 MMsINC code: MMs03089761
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OC1(CO)C(O)C(O)COC1O)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-2-6(15-16(11,12)13)4(9)3(8)1-14-5(6)10/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5-,6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.95184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.46237  SlogP: -4.173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.460497  Sterimol/B1: 3.04401  Sterimol/B2: 3.18818  Sterimol/B3: 5.00638
  Sterimol/B4: 5.09059  Sterimol/L: 9.52016 
 
 Surface and Volume Properties
  Accessible surface: 390.393  Positive charged surface: 286.774  Negative charged surface: 103.618  Volume: 189.25
  Hydrophobic surface: 115.394  Hydrophilic surface: 274.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03089762
PUBCHEM-ZINC04096159