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CHEMBRIDGE-ZINC04833292

 MMsINC code: MMs00795449
Type: Neutral
Formula: C15H16N2O4
SMILES:   OC(=O)c1cc(NC(=O)C2CC2)cc(NC(=O)C2CC2)c1
InChI:   InChI=1/C15H16N2O4/c18-13(8-1-2-8)16-11-5-10(15(20)21)6-12(7-11)17-14(19)9-3-4-9/h5-9H,1-4H2,(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)=69.3187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.303 g/mol  logS: -2.37618  SlogP: 2.0818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338268  Sterimol/B1: 2.92865  Sterimol/B2: 3.14144  Sterimol/B3: 5.63645
  Sterimol/B4: 5.77866  Sterimol/L: 15.8244 
 
 Surface and Volume Properties
  Accessible surface: 549.655  Positive charged surface: 335.948  Negative charged surface: 213.707  Volume: 270
  Hydrophobic surface: 284.093  Hydrophilic surface: 265.562
 
 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


MMs00795450
CHEMBRIDGE-ZINC04833292