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ACROSORGANICS-ZINC01683870

 MMsINC code: MMs00010871
Type: Neutral
Formula: C6H10O4
SMILES:   O(C(=O)CCC(OC)=O)C
InChI:   InChI=1/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.02232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: -0.17072  SlogP: 0.1126  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0318163  Sterimol/B1: 2.37551  Sterimol/B2: 2.37564  Sterimol/B3: 2.96207
  Sterimol/B4: 3.06688  Sterimol/L: 13.1234 
 
 Surface and Volume Properties
  Accessible surface: 352.146  Positive charged surface: 277.386  Negative charged surface: 74.7593  Volume: 140.375
  Hydrophobic surface: 262.283  Hydrophilic surface: 89.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.