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CHEMSTAR-ZINC00236796

 MMsINC code: MMs01073924
Type: Neutral
Formula: C15H16N2
SMILES:   N(=C\c1ccc(N(C)C)cc1)/c1ccccc1
InChI:   InChI=1/C15H16N2/c1-17(2)15-10-8-13(9-11-15)12-16-14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.0023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.307 g/mol  logS: -3.23703  SlogP: 3.5032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211697  Sterimol/B1: 2.55333  Sterimol/B2: 2.89251  Sterimol/B3: 3.10664
  Sterimol/B4: 4.66341  Sterimol/L: 16.3387 
 
 Surface and Volume Properties
  Accessible surface: 481.385  Positive charged surface: 329.825  Negative charged surface: 151.56  Volume: 243.75
  Hydrophobic surface: 465.82  Hydrophilic surface: 15.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs01073925
CHEMSTAR-ZINC00236796