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IBS-ZINC01870355

 MMsINC code: MMs01779293
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2c(NC1=O)c(ccc2)C)CCCC
InChI:   InChI=1/C24H28N2O4/c1-5-6-12-26(24(28)18-10-11-20(29-3)21(14-18)30-4)15-19-13-17-9-7-8-16(2)22(17)25-23(19)27/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.36469  SlogP: 4.29022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0984328  Sterimol/B1: 2.18426  Sterimol/B2: 4.13402  Sterimol/B3: 4.49075
  Sterimol/B4: 12.0465  Sterimol/L: 17.4676 
 
 Surface and Volume Properties
  Accessible surface: 699.255  Positive charged surface: 496.01  Negative charged surface: 203.244  Volume: 403.125
  Hydrophobic surface: 582.961  Hydrophilic surface: 116.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.