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ACROSORGANICS-ZINC00388059

 MMsINC code: MMs00006814
Type: Neutral
Formula: C5H10O4
SMILES:   OC(=O)C(CO)(CO)C
InChI:   InChI=1/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.05877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.86045  SlogP: -0.9381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.520809  Sterimol/B1: 2.11885  Sterimol/B2: 2.46267  Sterimol/B3: 4.84616
  Sterimol/B4: 5.69481  Sterimol/L: 9.07232 
 
 Surface and Volume Properties
  Accessible surface: 301.214  Positive charged surface: 218.964  Negative charged surface: 82.2503  Volume: 120.5
  Hydrophobic surface: 113.202  Hydrophilic surface: 188.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00006815
ACROSORGANICS-ZINC00388059