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PUBCHEM-ZINC03685964

 MMsINC code: MMs03041342
Type: Neutral
Formula: C24H32N2
SMILES:   [nH]1c2c(cc(cc2)CCCC)c(CCCCN)c1-c1ccc(cc1C)C
InChI:   InChI=1/C24H32N2/c1-4-5-8-19-11-13-23-22(16-19)21(9-6-7-14-25)24(26-23)20-12-10-17(2)15-18(20)3/h10-13,15-16,26H,4-9,14,25H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.534 g/mol  logS: -7.16731  SlogP: 6.07568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082483  Sterimol/B1: 3.23338  Sterimol/B2: 5.19801  Sterimol/B3: 6.60892
  Sterimol/B4: 6.65176  Sterimol/L: 18.7508 
 
 Surface and Volume Properties
  Accessible surface: 705.638  Positive charged surface: 498.716  Negative charged surface: 203.372  Volume: 389.875
  Hydrophobic surface: 594.126  Hydrophilic surface: 111.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs03041343
PUBCHEM-ZINC03685964