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PUBCHEM-ZINC04144390

 MMsINC code: MMs03093847
Type: Neutral
Formula: C24H26N4O4
SMILES:   O(C)c1cc(OC)ccc1-c1nn(c(c1)C(=O)N1CCC(CC1)C(=O)N)-c1ccccc1
InChI:   InChI=1/C24H26N4O4/c1-31-18-8-9-19(22(14-18)32-2)20-15-21(28(26-20)17-6-4-3-5-7-17)24(30)27-12-10-16(11-13-27)23(25)29/h3-9,14-16H,10-13H2,1-2H3,(H2,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.496 g/mol  logS: -4.81521  SlogP: 2.894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821955  Sterimol/B1: 2.6714  Sterimol/B2: 3.45286  Sterimol/B3: 4.25079
  Sterimol/B4: 11.6893  Sterimol/L: 16.864 
 
 Surface and Volume Properties
  Accessible surface: 723.058  Positive charged surface: 515.163  Negative charged surface: 207.895  Volume: 411.75
  Hydrophobic surface: 578.227  Hydrophilic surface: 144.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.