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CHEMBRIDGE-ZINC01123094

 MMsINC code: MMs00665113
Type: Neutral
Formula: C24H22N2O4
SMILES:   O1CCN(CC1)C(=O)CN1C(=O)C2C(C3c4c(C2c2c3cccc2)cccc4)C1=O
InChI:   InChI=1/C24H22N2O4/c27-18(25-9-11-30-12-10-25)13-26-23(28)21-19-14-5-1-2-6-15(14)20(22(21)24(26)29)17-8-4-3-7-16(17)19/h1-8,19-22H,9-13H2/t19-,20+,21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.32 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.45 g/mol  logS: -3.71695  SlogP: 1.7374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0966055  Sterimol/B1: 2.26764  Sterimol/B2: 3.59837  Sterimol/B3: 4.58367
  Sterimol/B4: 8.75937  Sterimol/L: 15.9947 
 
 Surface and Volume Properties
  Accessible surface: 640.143  Positive charged surface: 413.278  Negative charged surface: 226.865  Volume: 371
  Hydrophobic surface: 525.705  Hydrophilic surface: 114.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.