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MMsINC code: MMs03176027

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

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

InChI:

InChI=1/C15H13NO4/c1-9-2-4-10(5-3-9)14(18)16-13-7-6-11(17)8-12(13)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0709 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -3.43624	SlogP: 2.65112	Reactive groups: 0

Topological Properties
Globularity: 0.0163272	Sterimol/B1: 2.47904	Sterimol/B2: 2.63748	Sterimol/B3: 4.61277
Sterimol/B4: 5.04744	Sterimol/L: 15.7844

Surface and Volume Properties
Accessible surface: 489.093	Positive charged surface: 282.701	Negative charged surface: 206.393	Volume: 250.25
Hydrophobic surface: 324.372	Hydrophilic surface: 164.721

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

MMs03176028
PUBCHEM-ZINC04825796