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CHEMBRIDGE-ZINC01203457

 MMsINC code: MMs00687200
Type: Neutral
Formula: C24H33N3
SMILES:   N1(CCN(CC1)Cc1ccccc1C)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C24H33N3/c1-21-7-5-6-10-23(21)20-26-15-17-27(18-16-26)24-11-13-25(14-12-24)19-22-8-3-2-4-9-22/h2-10,24H,11-20H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.549 g/mol  logS: -3.99515  SlogP: 4.31002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555541  Sterimol/B1: 2.33455  Sterimol/B2: 2.55255  Sterimol/B3: 4.96018
  Sterimol/B4: 6.31953  Sterimol/L: 20.0536 
 
 Surface and Volume Properties
  Accessible surface: 667.19  Positive charged surface: 485.968  Negative charged surface: 181.222  Volume: 392.625
  Hydrophobic surface: 653.253  Hydrophilic surface: 13.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00687201
CHEMBRIDGE-ZINC01203457