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IFLAB-ZINC02456491

 MMsINC code: MMs01989722
Type: Neutral
Formula: C24H20N2O4
SMILES:   O1c2cc(ccc2OC1)C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C24H20N2O4/c1-15-7-9-19-18(11-15)23(16-5-3-2-4-6-16)26(13-22(27)25-19)24(28)17-8-10-20-21(12-17)30-14-29-20/h2-12,23H,13-14H2,1H3,(H,25,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -5.74077  SlogP: 4.00312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.332625  Sterimol/B1: 2.44105  Sterimol/B2: 4.01769  Sterimol/B3: 6.58387
  Sterimol/B4: 9.15696  Sterimol/L: 14.4555 
 
 Surface and Volume Properties
  Accessible surface: 608.891  Positive charged surface: 349.751  Negative charged surface: 259.139  Volume: 366.625
  Hydrophobic surface: 454.65  Hydrophilic surface: 154.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.