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AURORAFEINCHEMIE-ZINC06048903

 MMsINC code: MMs00476698
Type: Neutral
Formula: C24H30N2O5
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(OCC(=O)NC1CCCCCCC1)=O
InChI:   InChI=1/C24H30N2O5/c27-22(25-19-12-7-2-1-3-8-13-19)17-31-24(29)20(16-18-10-5-4-6-11-18)26-23(28)21-14-9-15-30-21/h4-6,9-11,14-15,19-20H,1-3,7-8,12-13,16-17H2,(H,25,27)(H,26,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -6.19427  SlogP: 3.39297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374344  Sterimol/B1: 2.49739  Sterimol/B2: 3.56617  Sterimol/B3: 4.0448
  Sterimol/B4: 8.9813  Sterimol/L: 20.4006 
 
 Surface and Volume Properties
  Accessible surface: 729.202  Positive charged surface: 469.133  Negative charged surface: 260.069  Volume: 413.125
  Hydrophobic surface: 618.641  Hydrophilic surface: 110.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.