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PUBCHEM-ZINC06761057

 MMsINC code: MMs03854351
Type: Neutral
Formula: C12H21FO9
SMILES:   FC1COC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI:   InChI=1/C12H21FO9/c13-4-3-20-6(2-15)11(7(4)16)22-12-10(19)9(18)8(17)5(1-14)21-12/h4-12,14-19H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.289 g/mol  logS: 0.69468  SlogP: -3.3185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215247  Sterimol/B1: 3.55361  Sterimol/B2: 4.03867  Sterimol/B3: 4.53637
  Sterimol/B4: 5.75945  Sterimol/L: 12.2467 
 
 Surface and Volume Properties
  Accessible surface: 509.665  Positive charged surface: 400.581  Negative charged surface: 109.084  Volume: 270.75
  Hydrophobic surface: 229.137  Hydrophilic surface: 280.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 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: no related molecules available.