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PUBCHEM-ZINC05513648

 MMsINC code: MMs03293450
Type: Neutral
Formula: C24H35NO
SMILES:   O(Cc1ccc(cc1)CCCN(CCCC)CCCC)c1ccccc1
InChI:   InChI=1/C24H35NO/c1-3-5-18-25(19-6-4-2)20-10-11-22-14-16-23(17-15-22)21-26-24-12-8-7-9-13-24/h7-9,12-17H,3-6,10-11,18-21H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.4689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.55 g/mol  logS: -5.42625  SlogP: 6.36677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0403941  Sterimol/B1: 2.52861  Sterimol/B2: 2.90401  Sterimol/B3: 4.77668
  Sterimol/B4: 10.4814  Sterimol/L: 21.405 
 
 Surface and Volume Properties
  Accessible surface: 753  Positive charged surface: 525.342  Negative charged surface: 227.658  Volume: 403.75
  Hydrophobic surface: 696.729  Hydrophilic surface: 56.271
 
 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: 0
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Ions/Tautomers related molecules


MMs03293451
PUBCHEM-ZINC05513648