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MMsINC code: MMs03145864

Type: Neutral
Formula: C₁₇H₁₄N₂O₅

SMILES:

Oc1cc(NC(=O)c2cc(NC(=O)\C=C/C(O)=O)ccc2)ccc1

InChI:

InChI=1/C17H14N2O5/c20-14-6-2-5-13(10-14)19-17(24)11-3-1-4-12(9-11)18-15(21)7-8-16(22)23/h1-10,20H,(H,18,21)(H,19,24)(H,22,23)/b8-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5697 kcal/mol

Physical Properties
Molecular Weight: 326.308 g/mol	logS: -3.69667	SlogP: 2.2238	Reactive groups: 0

Topological Properties
Globularity: 0.0348375	Sterimol/B1: 2.46438	Sterimol/B2: 2.5285	Sterimol/B3: 4.35641
Sterimol/B4: 8.67698	Sterimol/L: 16.7028

Surface and Volume Properties
Accessible surface: 579.465	Positive charged surface: 316.768	Negative charged surface: 262.697	Volume: 290.375
Hydrophobic surface: 364.637	Hydrophilic surface: 214.828

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

MMs03145865
PUBCHEM-ZINC04649183