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PUBCHEM-ZINC05524040

 MMsINC code: MMs03296982
Type: Neutral
Formula: C23H39NO
SMILES:   O(C(CN(CC)CC)c1ccc(cc1)C1CCCC1)CCCCCC
InChI:   InChI=1/C23H39NO/c1-4-7-8-11-18-25-23(19-24(5-2)6-3)22-16-14-21(15-17-22)20-12-9-10-13-20/h14-17,20,23H,4-13,18-19H2,1-3H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.0335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.571 g/mol  logS: -6.56079  SlogP: 6.4195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0795461  Sterimol/B1: 2.4244  Sterimol/B2: 4.26457  Sterimol/B3: 4.42939
  Sterimol/B4: 9.75599  Sterimol/L: 19.4504 
 
 Surface and Volume Properties
  Accessible surface: 711.546  Positive charged surface: 538.251  Negative charged surface: 173.295  Volume: 400.25
  Hydrophobic surface: 644.867  Hydrophilic surface: 66.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03296983
PUBCHEM-ZINC05524040