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ASINEX-ZINC02508656

 MMsINC code: MMs00274088
Type: Neutral
Formula: C14H16O4
SMILES:   OC(=O)CCC(=O)CCC(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H16O4/c1-10-2-4-11(5-3-10)13(16)8-6-12(15)7-9-14(17)18/h2-5H,6-9H2,1H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.7973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.278 g/mol  logS: -2.01858  SlogP: 2.39182  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0115965  Sterimol/B1: 2.37828  Sterimol/B2: 2.51222  Sterimol/B3: 2.93203
  Sterimol/B4: 4.89784  Sterimol/L: 18.1875 
 
 Surface and Volume Properties
  Accessible surface: 501.057  Positive charged surface: 304.79  Negative charged surface: 196.267  Volume: 242.875
  Hydrophobic surface: 341.414  Hydrophilic surface: 159.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00274089
ASINEX-ZINC02508656