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ENAMINE-ZINC03302384

 MMsINC code: MMs01359295
Type: Neutral
Formula: C24H24N2O4
SMILES:   Oc1cc2c(cc1C(OCC(=O)Nc1ccc(N3CCCCC3)cc1)=O)cccc2
InChI:   InChI=1/C24H24N2O4/c27-22-15-18-7-3-2-6-17(18)14-21(22)24(29)30-16-23(28)25-19-8-10-20(11-9-19)26-12-4-1-5-13-26/h2-3,6-11,14-15,27H,1,4-5,12-13,16H2,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.96053  SlogP: 4.3312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166261  Sterimol/B1: 2.55219  Sterimol/B2: 2.99536  Sterimol/B3: 3.60979
  Sterimol/B4: 8.19657  Sterimol/L: 21.8121 
 
 Surface and Volume Properties
  Accessible surface: 708.867  Positive charged surface: 453.558  Negative charged surface: 244.238  Volume: 385.125
  Hydrophobic surface: 578.419  Hydrophilic surface: 130.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.