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MAYBRIDGE-ZINC01560276

 MMsINC code: MMs02157878
Type: Neutral
Formula: C15H20O3
SMILES:   OC(=O)CCCCCCCC(=O)c1ccccc1
InChI:   InChI=1/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.322 g/mol  logS: -3.39867  SlogP: 3.6846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128084  Sterimol/B1: 2.37382  Sterimol/B2: 2.37703  Sterimol/B3: 3.43165
  Sterimol/B4: 4.43277  Sterimol/L: 19.6805 
 
 Surface and Volume Properties
  Accessible surface: 536.315  Positive charged surface: 352.174  Negative charged surface: 184.141  Volume: 259.25
  Hydrophobic surface: 402.215  Hydrophilic surface: 134.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02157879
MAYBRIDGE-ZINC01560276