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PUBCHEM-ZINC06523883

 MMsINC code: MMs03781955
Type: Neutral
Formula: C5H9FO5
SMILES:   FC1OC(O)C(O)C(O)C1O
InChI:   InChI=1/C5H9FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-10H/t1-,2-,3+,4-,5+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.6604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.12 g/mol  logS: 0.84299  SlogP: -1.8668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1452  Sterimol/B1: 2.57457  Sterimol/B2: 3.05216  Sterimol/B3: 3.11961
  Sterimol/B4: 4.98187  Sterimol/L: 9.14444 
 
 Surface and Volume Properties
  Accessible surface: 312.376  Positive charged surface: 201.544  Negative charged surface: 110.832  Volume: 128.5
  Hydrophobic surface: 77.4835  Hydrophilic surface: 234.8925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03781956
PUBCHEM-ZINC06523883