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PUBCHEM-ZINC06118943

 MMsINC code: MMs03547934
Type: Neutral
Formula: C23H26O2
SMILES:   OC(=O)CCCCCCCCc1cc2c(cc1)cc1c(c2)cccc1
InChI:   InChI=1/C23H26O2/c24-23(25)12-6-4-2-1-3-5-9-18-13-14-21-16-19-10-7-8-11-20(19)17-22(21)15-18/h7-8,10-11,13-17H,1-6,9,12H2,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.7726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.459 g/mol  logS: -8.14475  SlogP: 6.35077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298266  Sterimol/B1: 2.50453  Sterimol/B2: 3.39617  Sterimol/B3: 4.6181
  Sterimol/B4: 5.79668  Sterimol/L: 23.4209 
 
 Surface and Volume Properties
  Accessible surface: 676.93  Positive charged surface: 424.135  Negative charged surface: 230.652  Volume: 355.875
  Hydrophobic surface: 577.454  Hydrophilic surface: 99.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03547935
PUBCHEM-ZINC06118943