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MMsINC code: MMs00494164

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

O=C1N(CC(=O)NCc2ccc(cc2)C(O)=O)C(=O)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6249 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -3.8446	SlogP: 1.5636	Reactive groups: 0

Topological Properties
Globularity: 0.0256794	Sterimol/B1: 2.84334	Sterimol/B2: 3.3287	Sterimol/B3: 3.67969
Sterimol/B4: 4.66518	Sterimol/L: 19.7241

Surface and Volume Properties
Accessible surface: 593.456	Positive charged surface: 325.373	Negative charged surface: 268.083	Volume: 300.375
Hydrophobic surface: 364.485	Hydrophilic surface: 228.971

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

MMs00494165
CHEMBLOCK-ZINC00077008