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AURORAFEINCHEMIE-ZINC06778354

 MMsINC code: MMs00481152
Type: Neutral
Formula: C24H26N2O5
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(=O)N(Cc1ccc(OC)cc1OC)C
InChI:   InChI=1/C24H26N2O5/c1-26(16-18-11-12-19(29-2)15-22(18)30-3)24(28)20(14-17-8-5-4-6-9-17)25-23(27)21-10-7-13-31-21/h4-13,15,20H,14,16H2,1-3H3,(H,25,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -5.04719  SlogP: 3.56287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113768  Sterimol/B1: 2.72288  Sterimol/B2: 4.41358  Sterimol/B3: 6.02511
  Sterimol/B4: 7.89818  Sterimol/L: 18.2274 
 
 Surface and Volume Properties
  Accessible surface: 685.148  Positive charged surface: 470.633  Negative charged surface: 214.515  Volume: 407.125
  Hydrophobic surface: 618.361  Hydrophilic surface: 66.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.