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PUBCHEM-ZINC05973440

 MMsINC code: MMs03468991
Type: Neutral
Formula: C24H35NO
SMILES:   OC(CN(CCCC)CCCC)c1ccc(cc1)CCc1ccccc1
InChI:   InChI=1/C24H35NO/c1-3-5-18-25(19-6-4-2)20-24(26)23-16-14-22(15-17-23)13-12-21-10-8-7-9-11-21/h7-11,14-17,24,26H,3-6,12-13,18-20H2,1-2H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.0522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.55 g/mol  logS: -5.63349  SlogP: 5.50284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298389  Sterimol/B1: 2.39827  Sterimol/B2: 2.46013  Sterimol/B3: 4.76205
  Sterimol/B4: 8.5323  Sterimol/L: 21.9825 
 
 Surface and Volume Properties
  Accessible surface: 730.957  Positive charged surface: 487.014  Negative charged surface: 243.942  Volume: 400.875
  Hydrophobic surface: 645.426  Hydrophilic surface: 85.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03468992
PUBCHEM-ZINC05973440