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PUBCHEM-ZINC06292549

 MMsINC code: MMs03659986
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OC1C(O)C(OC(O)C1O)CO)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5+,6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.57093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.46237  SlogP: -4.1746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144756  Sterimol/B1: 2.49177  Sterimol/B2: 3.1238  Sterimol/B3: 3.39614
  Sterimol/B4: 6.42719  Sterimol/L: 12.6222 
 
 Surface and Volume Properties
  Accessible surface: 422.919  Positive charged surface: 274.787  Negative charged surface: 148.132  Volume: 190
  Hydrophobic surface: 98.0218  Hydrophilic surface: 324.8972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03659987
PUBCHEM-ZINC06292549