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PUBCHEM-ZINC02011486

 MMsINC code: MMs02849526
Type: Neutral
Formula: C5H10O5
SMILES:   OC(CC(O)CO)C(O)=O
InChI:   InChI=1/C5H10O5/c6-2-3(7)1-4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=27.4043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 0.81947  SlogP: -1.8248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139794  Sterimol/B1: 2.62663  Sterimol/B2: 3.03557  Sterimol/B3: 3.67166
  Sterimol/B4: 3.70406  Sterimol/L: 10.7962 
 
 Surface and Volume Properties
  Accessible surface: 325.91  Positive charged surface: 219.135  Negative charged surface: 106.775  Volume: 129.625
  Hydrophobic surface: 94.6047  Hydrophilic surface: 231.3053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02849527
PUBCHEM-ZINC02011486