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PUBCHEM-ZINC04189667

 MMsINC code: MMs03097719
Type: Neutral
Formula: C24H28N4O4
SMILES:   O(C)c1cc(OC)ccc1-c1nn(C)c(c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
InChI:   InChI=1/C24H28N4O4/c1-26-22(16-21(25-26)20-10-9-19(31-3)15-23(20)32-4)24(29)28-13-11-27(12-14-28)17-5-7-18(30-2)8-6-17/h5-10,15-16H,11-14H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=220.206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.512 g/mol  logS: -4.3249  SlogP: 3.4345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529098  Sterimol/B1: 2.03802  Sterimol/B2: 3.42865  Sterimol/B3: 5.03049
  Sterimol/B4: 10.9097  Sterimol/L: 20.0667 
 
 Surface and Volume Properties
  Accessible surface: 743.167  Positive charged surface: 583.491  Negative charged surface: 159.677  Volume: 419.875
  Hydrophobic surface: 661.262  Hydrophilic surface: 81.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.