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ACROSORGANICS-ZINC01599068

 MMsINC code: MMs00009762
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-/m0/s1

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Potential Energy
Epot(MMFF94)=23.6317 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: 0.0986173  Sterimol/B1: 2.30147  Sterimol/B2: 2.57097  Sterimol/B3: 3.09435
  Sterimol/B4: 4.18532  Sterimol/L: 8.93355 
 
 Surface and Volume Properties
  Accessible surface: 278.108  Positive charged surface: 206.406  Negative charged surface: 71.7026  Volume: 99.875
  Hydrophobic surface: 167.205  Hydrophilic surface: 110.903
 
 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.