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MMsINC code: MMs00677442

Type: Ionized
Formula: C₁₈H₁₃N₂O₅-

SMILES:

O=C1N(CC)C(=O)c2c1cc(cc2)C(=O)Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C18H14N2O5/c1-2-20-16(22)13-8-5-11(9-14(13)17(20)23)15(21)19-12-6-3-10(4-7-12)18(24)25/h3-9H,2H2,1H3,(H,19,21)(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5443 kcal/mol

Physical Properties
Molecular Weight: 337.311 g/mol	logS: -4.46178	SlogP: 0.9183	Reactive groups: 0

Topological Properties
Globularity: 0.0301097	Sterimol/B1: 2.21986	Sterimol/B2: 3.95673	Sterimol/B3: 4.25494
Sterimol/B4: 4.48118	Sterimol/L: 19.4253

Surface and Volume Properties
Accessible surface: 570.863	Positive charged surface: 291.162	Negative charged surface: 279.701	Volume: 300.25
Hydrophobic surface: 341.514	Hydrophilic surface: 229.349

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 2	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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Parent related molecule:

MMs00677441
CHEMBRIDGE-ZINC01165103