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MMsINC code: MMs00774593

Type: Neutral
Formula: C₁₇H₁₆N₂O₅

SMILES:

Oc1cc(C(O)=O)c(NC(=O)c2ccc(NC(=O)CC)cc2)cc1

InChI:

InChI=1/C17H16N2O5/c1-2-15(21)18-11-5-3-10(4-6-11)16(22)19-14-8-7-12(20)9-13(14)17(23)24/h3-9,20H,2H2,1H3,(H,18,21)(H,19,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0841 kcal/mol

Physical Properties
Molecular Weight: 328.324 g/mol	logS: -3.37354	SlogP: 2.6912	Reactive groups: 0

Topological Properties
Globularity: 0.0211486	Sterimol/B1: 2.52846	Sterimol/B2: 3.55149	Sterimol/B3: 4.08999
Sterimol/B4: 5.94892	Sterimol/L: 18.893

Surface and Volume Properties
Accessible surface: 577.936	Positive charged surface: 354.757	Negative charged surface: 223.179	Volume: 295.375
Hydrophobic surface: 348.533	Hydrophilic surface: 229.403

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs00774594
CHEMBRIDGE-ZINC04653024