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ACROSORGANICS-ZINC00967716

 MMsINC code: MMs00008368
Type: Neutral
Formula: C12H11N
SMILES:   N(c1ccccc1)c1ccccc1
InChI:   InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.6629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.227 g/mol  logS: -3.0052  SlogP: 3.4302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569881  Sterimol/B1: 2.6478  Sterimol/B2: 2.98119  Sterimol/B3: 3.07208
  Sterimol/B4: 4.39608  Sterimol/L: 12.0377 
 
 Surface and Volume Properties
  Accessible surface: 380.693  Positive charged surface: 217.194  Negative charged surface: 163.499  Volume: 180.375
  Hydrophobic surface: 360.908  Hydrophilic surface: 19.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.