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PUBCHEM-ZINC05509267

MMsINC code: MMs03291247

Type: Neutral
Formula: C23H33NO
SMILES:   O(C(c1ccc(cc1)CCC)c1ccc(cc1)CCC)CCN(C)C
InChI:   InChI=1/C23H33NO/c1-5-7-19-9-13-21(14-10-19)23(25-18-17-24(3)4)22-15-11-20(8-6-2)12-16-22/h9-16,23H,5-8,17-18H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=77.365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.523 g/mol  logS: -6.17559  SlogP: 5.35464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109055  Sterimol/B1: 2.25567  Sterimol/B2: 3.47372  Sterimol/B3: 4.68561
  Sterimol/B4: 12.2251  Sterimol/L: 17.3371 
 
 Surface and Volume Properties
  Accessible surface: 706.29  Positive charged surface: 538.165  Negative charged surface: 168.125  Volume: 385.25
  Hydrophobic surface: 659.526  Hydrophilic surface: 46.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03291248
PUBCHEM-ZINC05509267