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MDPI-ZINC03844970

MMsINC code: MMs02178256

Type: Neutral
Formula: C18H15N3
SMILES:   N(=Nc1ccccc1)c1ccc(cc1)-c1ccc(N)cc1
InChI:   InChI=1/C18H15N3/c19-16-10-6-14(7-11-16)15-8-12-18(13-9-15)21-20-17-4-2-1-3-5-17/h1-13H,19H2/b21-20-

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=153.021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.339 g/mol  logS: -5.42494  SlogP: 5.3512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492303  Sterimol/B1: 2.47747  Sterimol/B2: 2.68494  Sterimol/B3: 3.93386
  Sterimol/B4: 7.31341  Sterimol/L: 15.1643 
 
 Surface and Volume Properties
  Accessible surface: 507.129  Positive charged surface: 257.811  Negative charged surface: 239.585  Volume: 272.875
  Hydrophobic surface: 446.227  Hydrophilic surface: 60.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.