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ASINEX-ZINC02565413

 MMsINC code: MMs00274875
Type: Neutral
Formula: C16H15NO3
SMILES:   OC(=O)CNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C16H15NO3/c18-14(19)11-17-16(20)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,20)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.3076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.3 g/mol  logS: -3.23078  SlogP: 2.0193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201601  Sterimol/B1: 2.49932  Sterimol/B2: 3.46144  Sterimol/B3: 4.41676
  Sterimol/B4: 8.09371  Sterimol/L: 14.3548 
 
 Surface and Volume Properties
  Accessible surface: 509.125  Positive charged surface: 290.902  Negative charged surface: 218.223  Volume: 259.375
  Hydrophobic surface: 371.692  Hydrophilic surface: 137.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00274876
ASINEX-ZINC02565413