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ASINEX-ZINC01194065

 MMsINC code: MMs00230655
Type: Neutral
Formula: C24H20N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C/NCc1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C24H20N2O2/c1-17-11-13-19(14-12-17)26-23(27)21-10-6-5-9-20(21)22(24(26)28)16-25-15-18-7-3-2-4-8-18/h2-14,16,25H,15H2,1H3/b22-16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.436 g/mol  logS: -6.04951  SlogP: 4.57912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776657  Sterimol/B1: 2.10799  Sterimol/B2: 3.58471  Sterimol/B3: 3.77867
  Sterimol/B4: 12.9824  Sterimol/L: 13.9362 
 
 Surface and Volume Properties
  Accessible surface: 652.218  Positive charged surface: 366.516  Negative charged surface: 285.701  Volume: 364.875
  Hydrophobic surface: 595.936  Hydrophilic surface: 56.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00230656
ASINEX-ZINC01194065