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CHEMBRIDGE-ZINC00473786

 MMsINC code: MMs00628144
Type: Neutral
Formula: C13H16N2O4
SMILES:   OC(=O)CCC(=O)Nc1cc(C)c(NC(=O)C)cc1
InChI:   InChI=1/C13H16N2O4/c1-8-7-10(3-4-11(8)14-9(2)16)15-12(17)5-6-13(18)19/h3-4,7H,5-6H2,1-2H3,(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)=46.7535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.281 g/mol  logS: -1.71657  SlogP: 1.75672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204206  Sterimol/B1: 2.21204  Sterimol/B2: 2.48132  Sterimol/B3: 3.10292
  Sterimol/B4: 6.62764  Sterimol/L: 17.1578 
 
 Surface and Volume Properties
  Accessible surface: 509.509  Positive charged surface: 321.312  Negative charged surface: 188.197  Volume: 247.625
  Hydrophobic surface: 324.48  Hydrophilic surface: 185.029
 
 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


MMs00628145
CHEMBRIDGE-ZINC00473786