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ACROSORGANICS-ZINC00391793

 MMsINC code: MMs00007299
Type: Neutral
Formula: C5H10O3
SMILES:   O(C(=O)C(O)C)CC
InChI:   InChI=1/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.1139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.132 g/mol  logS: -0.45059  SlogP: -0.0697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888437  Sterimol/B1: 2.83685  Sterimol/B2: 2.89588  Sterimol/B3: 3.0247
  Sterimol/B4: 4.01555  Sterimol/L: 10.0888 
 
 Surface and Volume Properties
  Accessible surface: 306.975  Positive charged surface: 213.977  Negative charged surface: 92.9983  Volume: 117.875
  Hydrophobic surface: 179.77  Hydrophilic surface: 127.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.