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PUBCHEM-ZINC00226121

 MMsINC code: MMs02642358
Type: Neutral
Formula: C15H16N2O4
SMILES:   OC(=O)c1cc(NC(=O)C(C)=C)cc(NC(=O)C(C)=C)c1
InChI:   InChI=1/C15H16N2O4/c1-8(2)13(18)16-11-5-10(15(20)21)6-12(7-11)17-14(19)9(3)4/h5-7H,1,3H2,2,4H3,(H,16,18)(H,17,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.4102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.303 g/mol  logS: -2.78482  SlogP: 2.414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324191  Sterimol/B1: 2.55571  Sterimol/B2: 3.24932  Sterimol/B3: 4.42503
  Sterimol/B4: 8.14419  Sterimol/L: 14.6453 
 
 Surface and Volume Properties
  Accessible surface: 535.042  Positive charged surface: 300.595  Negative charged surface: 234.447  Volume: 272
  Hydrophobic surface: 306.377  Hydrophilic surface: 228.665
 
 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


MMs02642359
PUBCHEM-ZINC00226121