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PUBCHEM-ZINC05550642

 MMsINC code: MMs03304517
Type: Neutral
Formula: C24H24N2
SMILES:   n1c2c(cccc2)c(c2c1cccc2)CCNC(Cc1ccccc1)C
InChI:   InChI=1/C24H24N2/c1-18(17-19-9-3-2-4-10-19)25-16-15-20-21-11-5-7-13-23(21)26-24-14-8-6-12-22(20)24/h2-14,18,25H,15-17H2,1H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.47 g/mol  logS: -5.77865  SlogP: 5.15124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797739  Sterimol/B1: 2.1136  Sterimol/B2: 2.49988  Sterimol/B3: 4.89699
  Sterimol/B4: 10.0955  Sterimol/L: 15.0924 
 
 Surface and Volume Properties
  Accessible surface: 616.908  Positive charged surface: 359.119  Negative charged surface: 249.457  Volume: 361.125
  Hydrophobic surface: 566.494  Hydrophilic surface: 50.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03304518
PUBCHEM-ZINC05550642