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MMsINC code: MMs00494165

Type: Ionized
Formula: C₁₈H₁₃N₂O₅-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.5785 kcal/mol

Physical Properties
Molecular Weight: 337.311 g/mol	logS: -4.10505	SlogP: 0.2289	Reactive groups: 0

Topological Properties
Globularity: 0.0320476	Sterimol/B1: 3.19286	Sterimol/B2: 3.2956	Sterimol/B3: 3.37013
Sterimol/B4: 4.73037	Sterimol/L: 18.9558

Surface and Volume Properties
Accessible surface: 581.388	Positive charged surface: 293.182	Negative charged surface: 288.206	Volume: 299.625
Hydrophobic surface: 359.103	Hydrophilic surface: 222.285

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:

MMs00494164
CHEMBLOCK-ZINC00077008