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ACROSORGANICS-ZINC02034809

 MMsINC code: MMs00012555
Type: Neutral
Formula: C4H8O3
SMILES:   O(C(=O)C(O)C)C
InChI:   InChI=1/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=23.599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 104.105 g/mol  logS: -0.12338  SlogP: -0.4598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986293  Sterimol/B1: 2.30157  Sterimol/B2: 2.57102  Sterimol/B3: 3.09454
  Sterimol/B4: 4.18495  Sterimol/L: 8.93343 
 
 Surface and Volume Properties
  Accessible surface: 279.421  Positive charged surface: 206.54  Negative charged surface: 72.8802  Volume: 99.875
  Hydrophobic surface: 166.974  Hydrophilic surface: 112.447
 
 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.