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ASINEX-ZINC02066654

MMsINC code: MMs00262747

Type: Neutral
Formula: C24H28N2
SMILES:   N12CCN3C(=CC1(C)C(c1c2cccc1)(C)C)C(c1c3cccc1)(C)C
InChI:   InChI=1/C24H28N2/c1-22(2)17-10-6-8-12-19(17)25-14-15-26-20-13-9-7-11-18(20)23(3,4)24(26,5)16-21(22)25/h6-13,16H,14-15H2,1-5H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=187.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.502 g/mol  logS: -5.25628  SlogP: 5.2382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153706  Sterimol/B1: 2.30526  Sterimol/B2: 3.15421  Sterimol/B3: 4.68151
  Sterimol/B4: 6.957  Sterimol/L: 15.5317 
 
 Surface and Volume Properties
  Accessible surface: 564.874  Positive charged surface: 364.856  Negative charged surface: 200.018  Volume: 363.5
  Hydrophobic surface: 477.735  Hydrophilic surface: 87.139
 
 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.