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PUBCHEM-ZINC04096707

 MMsINC code: MMs03090043
Type: Neutral
Formula: C5H8O5
SMILES:   O1CC(O)C(O)C(O)C1=O
InChI:   InChI=1/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=53.6862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.114 g/mol  logS: 0.46007  SlogP: -2.3741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.393146  Sterimol/B1: 2.49645  Sterimol/B2: 2.81638  Sterimol/B3: 3.68818
  Sterimol/B4: 4.54074  Sterimol/L: 8.19221 
 
 Surface and Volume Properties
  Accessible surface: 294.989  Positive charged surface: 198.251  Negative charged surface: 96.7379  Volume: 117.125
  Hydrophobic surface: 96.1376  Hydrophilic surface: 198.8514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.