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ASINEX-ZINC00848419

 MMsINC code: MMs00191170
Type: Neutral
Formula: C22H18N2O4
SMILES:   OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C22H18N2O4/c1-14(25)23-15-10-12-16(13-11-15)24-21(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.396 g/mol  logS: -5.9601  SlogP: 4.2625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910249  Sterimol/B1: 3.11246  Sterimol/B2: 5.54172  Sterimol/B3: 5.67384
  Sterimol/B4: 6.36115  Sterimol/L: 17.024 
 
 Surface and Volume Properties
  Accessible surface: 620.349  Positive charged surface: 366.698  Negative charged surface: 252.561  Volume: 349.625
  Hydrophobic surface: 486.04  Hydrophilic surface: 134.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00191171
ASINEX-ZINC00848419