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PUBCHEM-ZINC00406320

 MMsINC code: MMs02677201
Type: Neutral
Formula: C5H10O5
SMILES:   O(C(=O)C(O)C(O)CO)C
InChI:   InChI=1/C5H10O5/c1-10-5(9)4(8)3(7)2-6/h3-4,6-8H,2H2,1H3/t3-,4+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.2775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 0.60891  SlogP: -2.1265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116368  Sterimol/B1: 2.45765  Sterimol/B2: 3.22375  Sterimol/B3: 3.31675
  Sterimol/B4: 4.26049  Sterimol/L: 10.8977 
 
 Surface and Volume Properties
  Accessible surface: 327.813  Positive charged surface: 242.528  Negative charged surface: 85.2848  Volume: 130.5
  Hydrophobic surface: 164.512  Hydrophilic surface: 163.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.