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ENAMINE-ZINC05557872

 MMsINC code: MMs01621495
Type: Neutral
Formula: C24H26N2O4
SMILES:   O(CC)c1ccc(cc1C(=O)NC1CCCCC1)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C24H26N2O4/c1-2-30-21-13-12-16(14-20(21)22(27)25-17-8-4-3-5-9-17)15-26-23(28)18-10-6-7-11-19(18)24(26)29/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.482 g/mol  logS: -5.69749  SlogP: 4.2104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0990967  Sterimol/B1: 2.43921  Sterimol/B2: 2.51499  Sterimol/B3: 6.01496
  Sterimol/B4: 11.2572  Sterimol/L: 17.2435 
 
 Surface and Volume Properties
  Accessible surface: 704.807  Positive charged surface: 474.641  Negative charged surface: 230.166  Volume: 395.25
  Hydrophobic surface: 578.115  Hydrophilic surface: 126.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.