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CHEMSTAR-ZINC04017234

 MMsINC code: MMs01087990
Type: Neutral
Formula: C20H26N4
SMILES:   N(/N=C(/C)\c1ccc(N(C)C)cc1)=C(/C)\c1ccc(N(C)C)cc1
InChI:   InChI=1/C20H26N4/c1-15(17-7-11-19(12-8-17)23(3)4)21-22-16(2)18-9-13-20(14-10-18)24(5)6/h7-14H,1-6H3/b21-15-,22-16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.456 g/mol  logS: -3.96004  SlogP: 4.0518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355674  Sterimol/B1: 2.05588  Sterimol/B2: 2.60437  Sterimol/B3: 3.97795
  Sterimol/B4: 7.98552  Sterimol/L: 19.3534 
 
 Surface and Volume Properties
  Accessible surface: 624.116  Positive charged surface: 483.81  Negative charged surface: 140.306  Volume: 348.875
  Hydrophobic surface: 608.825  Hydrophilic surface: 15.291
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.