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PUBCHEM-ZINC01628788

 MMsINC code: MMs02816778
Type: Neutral
Formula: C24H26N2
SMILES:   n1(c2c(c3c1cccc3)C(CC2(C)c1c2c(n(c1)C)cccc2)(C)C)C
InChI:   InChI=1/C24H26N2/c1-23(2)15-24(3,18-14-25(4)19-12-8-6-10-16(18)19)22-21(23)17-11-7-9-13-20(17)26(22)5/h6-14H,15H2,1-5H3/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.486 g/mol  logS: -5.20096  SlogP: 6.3757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294034  Sterimol/B1: 2.65758  Sterimol/B2: 3.61675  Sterimol/B3: 6.59343
  Sterimol/B4: 7.06431  Sterimol/L: 14.4644 
 
 Surface and Volume Properties
  Accessible surface: 579.451  Positive charged surface: 378.461  Negative charged surface: 196.059  Volume: 364.375
  Hydrophobic surface: 522.062  Hydrophilic surface: 57.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.