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ASINEX-ZINC03905128

 MMsINC code: MMs00294254
Type: Neutral
Formula: C26H24N2
SMILES:   N=1N(C(C2C=1\C(\CCC2)=C\c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H24N2/c1-4-11-20(12-5-1)19-22-15-10-18-24-25(22)27-28(23-16-8-3-9-17-23)26(24)21-13-6-2-7-14-21/h1-9,11-14,16-17,19,24,26H,10,15,18H2/b22-19+/t24-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.492 g/mol  logS: -6.31767  SlogP: 6.5831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126067  Sterimol/B1: 3.93227  Sterimol/B2: 5.22128  Sterimol/B3: 5.52115
  Sterimol/B4: 6.73606  Sterimol/L: 16.8513 
 
 Surface and Volume Properties
  Accessible surface: 641.032  Positive charged surface: 384.666  Negative charged surface: 256.366  Volume: 379.625
  Hydrophobic surface: 633.229  Hydrophilic surface: 7.803
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.