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PUBCHEM-ZINC04759649

 MMsINC code: MMs03166791
Type: Neutral
Formula: C24H25N
SMILES:   N1(CCC(C(c2c(C1)cccc2)c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C24H25N/c1-25-17-16-23(19-10-4-2-5-11-19)24(20-12-6-3-7-13-20)22-15-9-8-14-21(22)18-25/h2-15,23-24H,16-18H2,1H3/t23-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.27 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.471 g/mol  logS: -5.30181  SlogP: 5.7042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297359  Sterimol/B1: 2.36489  Sterimol/B2: 3.58324  Sterimol/B3: 5.30248
  Sterimol/B4: 8.67023  Sterimol/L: 13.6561 
 
 Surface and Volume Properties
  Accessible surface: 560.325  Positive charged surface: 377.389  Negative charged surface: 182.936  Volume: 349.875
  Hydrophobic surface: 554.408  Hydrophilic surface: 5.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03166792
PUBCHEM-ZINC04759649