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CHEMBLOCK-ZINC04492360

 MMsINC code: MMs00554188
Type: Neutral
Formula: C13H16N2O4
SMILES:   OC(=O)c1cc(NC(=O)CC)c(NC(=O)CC)cc1
InChI:   InChI=1/C13H16N2O4/c1-3-11(16)14-9-6-5-8(13(18)19)7-10(9)15-12(17)4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.3054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.281 g/mol  logS: -2.17672  SlogP: 2.0818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318645  Sterimol/B1: 2.50417  Sterimol/B2: 3.07477  Sterimol/B3: 4.39236
  Sterimol/B4: 8.14239  Sterimol/L: 13.719 
 
 Surface and Volume Properties
  Accessible surface: 506.188  Positive charged surface: 334.421  Negative charged surface: 171.767  Volume: 246
  Hydrophobic surface: 293.262  Hydrophilic surface: 212.926
 
 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


MMs00554189
CHEMBLOCK-ZINC04492360