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CHEMBRIDGE-ZINC04657470

 MMsINC code: MMs00774761
Type: Neutral
Formula: C24H39N3O4
SMILES:   O1CCN(CC1)CCCNCc1cc(OCC)c(OCC(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C24H39N3O4/c1-2-30-23-17-20(18-25-11-6-12-27-13-15-29-16-14-27)9-10-22(23)31-19-24(28)26-21-7-4-3-5-8-21/h9-10,17,21,25H,2-8,11-16,18-19H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.9541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 433.593 g/mol  logS: -3.5882  SlogP: 2.9913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343932  Sterimol/B1: 2.31462  Sterimol/B2: 2.41396  Sterimol/B3: 5.95694
  Sterimol/B4: 10.538  Sterimol/L: 25.3895 
 
 Surface and Volume Properties
  Accessible surface: 835.494  Positive charged surface: 684.269  Negative charged surface: 151.226  Volume: 445.875
  Hydrophobic surface: 719.652  Hydrophilic surface: 115.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs00774762
CHEMBRIDGE-ZINC04657470