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ENAMINE-ZINC04863344

 MMsINC code: MMs01558079
Type: Neutral
Formula: C23H28N2
SMILES:   N(=C\C=C\1/N(c2c(cccc2)C/1(C)C)C)/c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C23H28N2/c1-22(2,3)17-11-13-18(14-12-17)24-16-15-21-23(4,5)19-9-7-8-10-20(19)25(21)6/h7-16H,1-6H3/b21-15-,24-16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.47 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.491 g/mol  logS: -6.44183  SlogP: 5.9979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039732  Sterimol/B1: 2.39005  Sterimol/B2: 2.41473  Sterimol/B3: 4.83906
  Sterimol/B4: 7.32934  Sterimol/L: 18.6278 
 
 Surface and Volume Properties
  Accessible surface: 631.437  Positive charged surface: 406.552  Negative charged surface: 224.885  Volume: 363.5
  Hydrophobic surface: 529.491  Hydrophilic surface: 101.946
 
 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: no related molecules available.