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PUBCHEM-ZINC02123160

 MMsINC code: MMs02873822
Type: Neutral
Formula: C24H34N4
SMILES:   N(=C(\Nc1ccc(cc1)C)/C(=N/CC(C)C)/Nc1ccc(cc1)C)/CC(C)C
InChI:   InChI=1/C24H34N4/c1-17(2)15-25-23(27-21-11-7-19(5)8-12-21)24(26-16-18(3)4)28-22-13-9-20(6)10-14-22/h7-14,17-18H,15-16H2,1-6H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.564 g/mol  logS: -6.18228  SlogP: 5.93644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276222  Sterimol/B1: 2.85328  Sterimol/B2: 3.61539  Sterimol/B3: 7.00277
  Sterimol/B4: 9.90425  Sterimol/L: 16.0585 
 
 Surface and Volume Properties
  Accessible surface: 693.978  Positive charged surface: 466.863  Negative charged surface: 227.115  Volume: 416.375
  Hydrophobic surface: 606.729  Hydrophilic surface: 87.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.