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ENAMINE-ZINC06537198

 MMsINC code: MMs01668133
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(CC)c1ncccc1C(OC(C(=O)Nc1cc(ccc1C)C)c1ccccc1)=O
InChI:   InChI=1/C24H24N2O4/c1-4-29-23-19(11-8-14-25-23)24(28)30-21(18-9-6-5-7-10-18)22(27)26-20-15-16(2)12-13-17(20)3/h5-15,21H,4H2,1-3H3,(H,26,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.59604  SlogP: 4.72944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125845  Sterimol/B1: 2.28344  Sterimol/B2: 6.01795  Sterimol/B3: 6.46233
  Sterimol/B4: 7.80333  Sterimol/L: 17.4001 
 
 Surface and Volume Properties
  Accessible surface: 720.784  Positive charged surface: 464.861  Negative charged surface: 255.923  Volume: 397
  Hydrophobic surface: 636.353  Hydrophilic surface: 84.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.