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PUBCHEM-ZINC00895279

 MMsINC code: MMs02741651
Type: Neutral
Formula: C5H10O5
SMILES:   O1CC(O)C(O)C1(O)CO
InChI:   InChI=1/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.9706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 0.87218  SlogP: -2.5807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231976  Sterimol/B1: 2.3531  Sterimol/B2: 3.30873  Sterimol/B3: 3.30974
  Sterimol/B4: 4.9711  Sterimol/L: 10.0224 
 
 Surface and Volume Properties
  Accessible surface: 309.301  Positive charged surface: 242.816  Negative charged surface: 66.4847  Volume: 124.875
  Hydrophobic surface: 126.757  Hydrophilic surface: 182.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.