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ASINEX-ZINC04984368

 MMsINC code: MMs00422167
Type: Neutral
Formula: C24H32N2
SMILES:   N(C1CCN(CC1c1ccccc1)Cc1ccccc1)C1CCCCC1
InChI:   InChI=1/C24H32N2/c1-4-10-20(11-5-1)18-26-17-16-24(25-22-14-8-3-9-15-22)23(19-26)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-25H,3,8-9,14-19H2/t23-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.8118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.534 g/mol  logS: -4.54895  SlogP: 5.2334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898133  Sterimol/B1: 3.29353  Sterimol/B2: 4.22905  Sterimol/B3: 4.27058
  Sterimol/B4: 8.44781  Sterimol/L: 16.3166 
 
 Surface and Volume Properties
  Accessible surface: 644.17  Positive charged surface: 458.774  Negative charged surface: 185.396  Volume: 381.25
  Hydrophobic surface: 626.493  Hydrophilic surface: 17.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00422168
ASINEX-ZINC04984368