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ASINEX-ZINC00631065

 MMsINC code: MMs00143515
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NC(C)c1ccccc1)c1cc(ccc1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-17(19-10-5-3-6-11-19)25-23(27)21-14-9-15-22(16-21)24(28)26-18(2)20-12-7-4-8-13-20/h3-18H,1-2H3,(H,25,27)(H,26,28)/t17-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.4338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.86736  SlogP: 4.8596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378874  Sterimol/B1: 2.08195  Sterimol/B2: 2.54826  Sterimol/B3: 5.9183
  Sterimol/B4: 5.96908  Sterimol/L: 20.7876 
 
 Surface and Volume Properties
  Accessible surface: 688.013  Positive charged surface: 377.471  Negative charged surface: 310.542  Volume: 382
  Hydrophobic surface: 581.442  Hydrophilic surface: 106.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.