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CHEMDIV-ZINC00186344

 MMsINC code: MMs00836757
Type: Neutral
Formula: C13H15NO4
SMILES:   OC(=O)CCCC(=O)Nc1ccc(cc1)C(=O)C
InChI:   InChI=1/C13H15NO4/c1-9(15)10-5-7-11(8-6-10)14-12(16)3-2-4-13(17)18/h5-8H,2-4H2,1H3,(H,14,16)(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.3636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.266 g/mol  logS: -1.86069  SlogP: 2.0826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189432  Sterimol/B1: 2.47526  Sterimol/B2: 3.22999  Sterimol/B3: 3.81048
  Sterimol/B4: 4.05414  Sterimol/L: 17.8744 
 
 Surface and Volume Properties
  Accessible surface: 494.013  Positive charged surface: 303.554  Negative charged surface: 190.459  Volume: 235.125
  Hydrophobic surface: 308.454  Hydrophilic surface: 185.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00836758
CHEMDIV-ZINC00186344