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ASINEX-ZINC00295150

 MMsINC code: MMs00111811
Type: Neutral
Formula: C18H20N2
SMILES:   n1(c(ccc1C)C)-c1cc(-n2c(ccc2C)C)ccc1
InChI:   InChI=1/C18H20N2/c1-13-8-9-14(2)19(13)17-6-5-7-18(12-17)20-15(3)10-11-16(20)4/h5-12H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.372 g/mol  logS: -2.96062  SlogP: 4.50168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236851  Sterimol/B1: 2.8277  Sterimol/B2: 4.34963  Sterimol/B3: 4.55947
  Sterimol/B4: 6.79768  Sterimol/L: 13.6818 
 
 Surface and Volume Properties
  Accessible surface: 522.15  Positive charged surface: 314.505  Negative charged surface: 207.645  Volume: 287.75
  Hydrophobic surface: 506.531  Hydrophilic surface: 15.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.