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PUBCHEM-ZINC05820638

 MMsINC code: MMs03399604
Type: Neutral
Formula: C20H22O3
SMILES:   OC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)CCCCCC
InChI:   InChI=1/C20H22O3/c1-2-3-4-5-6-15-7-9-16(10-8-15)19(21)17-11-13-18(14-12-17)20(22)23/h7-14H,2-6H2,1H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.393 g/mol  logS: -6.47711  SlogP: 4.73857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324334  Sterimol/B1: 2.54229  Sterimol/B2: 3.70943  Sterimol/B3: 4.39411
  Sterimol/B4: 6.91919  Sterimol/L: 19.377 
 
 Surface and Volume Properties
  Accessible surface: 612.063  Positive charged surface: 386.903  Negative charged surface: 225.16  Volume: 318.75
  Hydrophobic surface: 455.833  Hydrophilic surface: 156.23
 
 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


MMs03399605
PUBCHEM-ZINC05820638