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MMsINC code: MMs00490590

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

O=C1N(CCC(=O)Nc2cc(ccc2)C(O)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C18H14N2O5/c21-15(19-12-5-3-4-11(10-12)18(24)25)8-9-20-16(22)13-6-1-2-7-14(13)17(20)23/h1-7,10H,8-9H2,(H,19,21)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8172 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -3.78248	SlogP: 2.0096	Reactive groups: 0

Topological Properties
Globularity: 0.0318193	Sterimol/B1: 3.41634	Sterimol/B2: 3.55345	Sterimol/B3: 3.97033
Sterimol/B4: 5.04335	Sterimol/L: 18.4285

Surface and Volume Properties
Accessible surface: 583.696	Positive charged surface: 326.114	Negative charged surface: 257.582	Volume: 300.875
Hydrophobic surface: 366.077	Hydrophilic surface: 217.619

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00490591
CHEMBLOCK-ZINC00054226