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ACROSORGANICS-ZINC02031530

 MMsINC code: MMs00012473
Type: Neutral
Formula: C6H10O4
SMILES:   O1C2C(OCC2O)C(O)C1
InChI:   InChI=1/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: 0.23158  SlogP: -1.4942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192975  Sterimol/B1: 2.34841  Sterimol/B2: 2.4144  Sterimol/B3: 3.85334
  Sterimol/B4: 4.11081  Sterimol/L: 9.52355 
 
 Surface and Volume Properties
  Accessible surface: 308.046  Positive charged surface: 251.626  Negative charged surface: 56.4206  Volume: 130.5
  Hydrophobic surface: 181.58  Hydrophilic surface: 126.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.