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ASINEX-ZINC00295148

 MMsINC code: MMs00111810
Type: Neutral
Formula: C18H20N2
SMILES:   n1(c(ccc1C)C)-c1ccc(-n2c(ccc2C)C)cc1
InChI:   InChI=1/C18H20N2/c1-13-5-6-14(2)19(13)17-9-11-18(12-10-17)20-15(3)7-8-16(20)4/h5-12H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.4498 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: 0.11865  Sterimol/B1: 2.26726  Sterimol/B2: 2.5694  Sterimol/B3: 4.69703
  Sterimol/B4: 6.87624  Sterimol/L: 14.4523 
 
 Surface and Volume Properties
  Accessible surface: 526.174  Positive charged surface: 323.552  Negative charged surface: 202.622  Volume: 285.25
  Hydrophobic surface: 510.826  Hydrophilic surface: 15.348
 
 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.