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MMsINC code: MMs03284687

Type: Neutral
Formula: C₁₇H₁₃N₃O₅

SMILES:

O(C(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c1ccccc1C(O)=O)C

InChI:

InChI=1/C17H13N3O5/c1-25-17(24)20-16-18-12-7-6-9(8-13(12)19-16)14(21)10-4-2-3-5-11(10)15(22)23/h2-8H,1H3,(H,22,23)(H2,18,19,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.612 kcal/mol

Physical Properties
Molecular Weight: 339.307 g/mol	logS: -4.72744	SlogP: 2.6704	Reactive groups: 0

Topological Properties
Globularity: 0.0595463	Sterimol/B1: 3.17558	Sterimol/B2: 3.9288	Sterimol/B3: 4.56684
Sterimol/B4: 5.14909	Sterimol/L: 18.8595

Surface and Volume Properties
Accessible surface: 565.888	Positive charged surface: 349.057	Negative charged surface: 216.831	Volume: 296.125
Hydrophobic surface: 336.21	Hydrophilic surface: 229.678

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	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

MMs03284688
PUBCHEM-ZINC05489720