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PUBCHEM-ZINC01847383

 MMsINC code: MMs02824548
Type: Neutral
Formula: C23H28N2
SMILES:   n1(cc(c2c1cccc2)CCCCN1CCCCC1)-c1ccccc1
InChI:   InChI=1/C23H28N2/c1-3-12-21(13-4-1)25-19-20(22-14-5-6-15-23(22)25)11-7-10-18-24-16-8-2-9-17-24/h1,3-6,12-15,19H,2,7-11,16-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.5951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.491 g/mol  logS: -4.48326  SlogP: 5.43907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498434  Sterimol/B1: 2.25279  Sterimol/B2: 3.41362  Sterimol/B3: 3.84353
  Sterimol/B4: 8.61898  Sterimol/L: 19.3994 
 
 Surface and Volume Properties
  Accessible surface: 650.704  Positive charged surface: 448.995  Negative charged surface: 197.698  Volume: 362.5
  Hydrophobic surface: 639.16  Hydrophilic surface: 11.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02824549
PUBCHEM-ZINC01847383