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PUBCHEM-ZINC05131879

 MMsINC code: MMs03206790
Type: Neutral
Formula: C12H21FO10
SMILES:   FC1C(O)C(OC(OC2(OC(CO)C(O)C2O)CO)C1O)CO
InChI:   InChI=1/C12H21FO10/c13-6-7(17)4(1-14)21-11(9(6)19)23-12(3-16)10(20)8(18)5(2-15)22-12/h4-11,14-20H,1-3H2/t4-,5-,6+,7-,8-,9-,10+,11-,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.288 g/mol  logS: 0.84126  SlogP: -3.9985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.271196  Sterimol/B1: 2.41736  Sterimol/B2: 4.1287  Sterimol/B3: 4.74178
  Sterimol/B4: 7.44083  Sterimol/L: 11.9292 
 
 Surface and Volume Properties
  Accessible surface: 503.184  Positive charged surface: 384.903  Negative charged surface: 118.281  Volume: 277.5
  Hydrophobic surface: 187.771  Hydrophilic surface: 315.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 10  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


MMs03206791
PUBCHEM-ZINC05131879