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NCID-ZINC04691843

 MMsINC code: MMs02393475
Type: Neutral
Formula: C24H40O2
SMILES:   O(C(=O)c1ccccc1)C(CCC(CCCC)CC)CCC(CC)CC
InChI:   InChI=1/C24H40O2/c1-5-9-13-21(8-4)17-19-23(18-16-20(6-2)7-3)26-24(25)22-14-11-10-12-15-22/h10-12,14-15,20-21,23H,5-9,13,16-19H2,1-4H3/t21-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.0293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.582 g/mol  logS: -9.00721  SlogP: 7.425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0977215  Sterimol/B1: 4.33077  Sterimol/B2: 4.46902  Sterimol/B3: 6.01027
  Sterimol/B4: 8.7926  Sterimol/L: 16.64 
 
 Surface and Volume Properties
  Accessible surface: 748.799  Positive charged surface: 525.159  Negative charged surface: 223.64  Volume: 413.75
  Hydrophobic surface: 640.888  Hydrophilic surface: 107.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.