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PUBCHEM-ZINC04699201

 MMsINC code: MMs03159255
Type: Neutral
Formula: C26H27N
SMILES:   N(CCc1ccccc1)(C\C=C\c1ccccc1)C\C=C\c1ccccc1
InChI:   InChI=1/C26H27N/c1-4-12-24(13-5-1)18-10-21-27(23-20-26-16-8-3-9-17-26)22-11-19-25-14-6-2-7-15-25/h1-19H,20-23H2/b18-10+,19-11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.7592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.509 g/mol  logS: -5.86524  SlogP: 5.95787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.094664  Sterimol/B1: 2.86894  Sterimol/B2: 4.04352  Sterimol/B3: 4.05135
  Sterimol/B4: 11.4301  Sterimol/L: 17.2322 
 
 Surface and Volume Properties
  Accessible surface: 715.839  Positive charged surface: 414.779  Negative charged surface: 301.06  Volume: 394.625
  Hydrophobic surface: 691.929  Hydrophilic surface: 23.91
 
 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


MMs03159256
PUBCHEM-ZINC04699201