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NCID-ZINC05048773

 MMsINC code: MMs02432845
Type: Neutral
Formula: C20H24N2
SMILES:   N(/N=C/c1ccc(cc1)C(C)C)=C/c1ccc(cc1)C(C)C
InChI:   InChI=1/C20H24N2/c1-15(2)19-9-5-17(6-10-19)13-21-22-14-18-7-11-20(12-8-18)16(3)4/h5-16H,1-4H3/b21-13-,22-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.426 g/mol  logS: -6.50162  SlogP: 5.3864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051838  Sterimol/B1: 2.31946  Sterimol/B2: 2.51919  Sterimol/B3: 4.91121
  Sterimol/B4: 8.01874  Sterimol/L: 14.796 
 
 Surface and Volume Properties
  Accessible surface: 585.611  Positive charged surface: 392.424  Negative charged surface: 193.187  Volume: 324.25
  Hydrophobic surface: 448.702  Hydrophilic surface: 136.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.