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PUBCHEM-ZINC05131770

 MMsINC code: MMs03206659
Type: Neutral
Formula: C5H12O5
SMILES:   OC(C(O)CO)(CO)CO
InChI:   InChI=1/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.0686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.146 g/mol  logS: 1.42216  SlogP: -2.9447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211179  Sterimol/B1: 3.13959  Sterimol/B2: 3.17656  Sterimol/B3: 3.7418
  Sterimol/B4: 4.21986  Sterimol/L: 10.2991 
 
 Surface and Volume Properties
  Accessible surface: 319.629  Positive charged surface: 244.412  Negative charged surface: 75.2168  Volume: 135
  Hydrophobic surface: 109.966  Hydrophilic surface: 209.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.