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ASINEX-ZINC00756363

 MMsINC code: MMs00157327
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NC(C)c1ccccc1)c1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-17(19-11-5-3-6-12-19)25-23(27)21-15-9-10-16-22(21)24(28)26-18(2)20-13-7-4-8-14-20/h3-18H,1-2H3,(H,25,27)(H,26,28)/t17-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.9131 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: 0.0863199  Sterimol/B1: 2.22  Sterimol/B2: 5.46097  Sterimol/B3: 6.30361
  Sterimol/B4: 6.68127  Sterimol/L: 18.3004 
 
 Surface and Volume Properties
  Accessible surface: 677.654  Positive charged surface: 383.19  Negative charged surface: 294.463  Volume: 381.875
  Hydrophobic surface: 596.462  Hydrophilic surface: 81.192
 
 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.