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CHEMBLOCK-ZINC04183741

 MMsINC code: MMs00545721
Type: Neutral
Formula: C23H24N2O4
SMILES:   O=C1c2c(N(c3c1cccc3)CC(OCC(=O)NC1CCCCC1)=O)cccc2
InChI:   InChI=1/C23H24N2O4/c26-21(24-16-8-2-1-3-9-16)15-29-22(27)14-25-19-12-6-4-10-17(19)23(28)18-11-5-7-13-20(18)25/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -5.61534  SlogP: 3.3612  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0265147  Sterimol/B1: 2.42266  Sterimol/B2: 3.21943  Sterimol/B3: 3.56544
  Sterimol/B4: 9.6813  Sterimol/L: 19.4905 
 
 Surface and Volume Properties
  Accessible surface: 685.886  Positive charged surface: 444.03  Negative charged surface: 241.856  Volume: 375.625
  Hydrophobic surface: 567.141  Hydrophilic surface: 118.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.