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PUBCHEM-ZINC02003776

 MMsINC code: MMs02845026
Type: Neutral
Formula: C24H34N2
SMILES:   N(CC1CCC(CC1)CN(Cc1ccccc1)C)(Cc1ccccc1)C
InChI:   InChI=1/C24H34N2/c1-25(17-21-9-5-3-6-10-21)19-23-13-15-24(16-14-23)20-26(2)18-22-11-7-4-8-12-22/h3-12,23-24H,13-20H2,1-2H3/t23-,24+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.55 g/mol  logS: -4.0307  SlogP: 5.5896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612025  Sterimol/B1: 3.09506  Sterimol/B2: 4.27729  Sterimol/B3: 4.41254
  Sterimol/B4: 7.4055  Sterimol/L: 18.2027 
 
 Surface and Volume Properties
  Accessible surface: 666.377  Positive charged surface: 480.863  Negative charged surface: 185.514  Volume: 392
  Hydrophobic surface: 653.347  Hydrophilic surface: 13.03
 
 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


MMs02845027
PUBCHEM-ZINC02003776