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PUBCHEM-ZINC00397434

 MMsINC code: MMs02674116
Type: Neutral
Formula: C16H16N2O3
SMILES:   OC(=O)c1ccc(NC(=O)Nc2cccc(C)c2C)cc1
InChI:   InChI=1/C16H16N2O3/c1-10-4-3-5-14(11(10)2)18-16(21)17-13-8-6-12(7-9-13)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.7957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.315 g/mol  logS: -3.85584  SlogP: 3.64564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169087  Sterimol/B1: 2.1138  Sterimol/B2: 3.16939  Sterimol/B3: 4.19508
  Sterimol/B4: 4.9527  Sterimol/L: 16.9514 
 
 Surface and Volume Properties
  Accessible surface: 527.364  Positive charged surface: 309.541  Negative charged surface: 217.823  Volume: 271.375
  Hydrophobic surface: 379.085  Hydrophilic surface: 148.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02674117
PUBCHEM-ZINC00397434