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AURORAFEINCHEMIE-ZINC05155816

 MMsINC code: MMs00472452
Type: Neutral
Formula: C24H23NO4
SMILES:   O1C2C=CC13C(C2C(OCc1ccccc1)=O)C(=O)N(C3)c1ccccc1CC
InChI:   InChI=1/C24H23NO4/c1-2-17-10-6-7-11-18(17)25-15-24-13-12-19(29-24)20(21(24)22(25)26)23(27)28-14-16-8-4-3-5-9-16/h3-13,19-21H,2,14-15H2,1H3/t19-,20+,21+,24-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.451 g/mol  logS: -4.94068  SlogP: 3.54517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919195  Sterimol/B1: 2.20289  Sterimol/B2: 3.14807  Sterimol/B3: 6.229
  Sterimol/B4: 6.31607  Sterimol/L: 19.4151 
 
 Surface and Volume Properties
  Accessible surface: 653.92  Positive charged surface: 388.429  Negative charged surface: 265.491  Volume: 376.125
  Hydrophobic surface: 531.604  Hydrophilic surface: 122.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.