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MMsINC code: MMs00864549

Type: Ionized
Formula: C₁₇H₁₁N₂O₅-

SMILES:

O=C1N(CC(=O)Nc2ccc(cc2)C(=O)[O-])C(=O)c2c1cccc2

InChI:

InChI=1/C17H12N2O5/c20-14(18-11-7-5-10(6-8-11)17(23)24)9-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-8H,9H2,(H,18,20)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.5146 kcal/mol

Physical Properties
Molecular Weight: 323.284 g/mol	logS: -4.16101	SlogP: 0.2848	Reactive groups: 0

Topological Properties
Globularity: 0.0652482	Sterimol/B1: 3.33887	Sterimol/B2: 3.74738	Sterimol/B3: 4.45114
Sterimol/B4: 4.91154	Sterimol/L: 17.9602

Surface and Volume Properties
Accessible surface: 545.188	Positive charged surface: 259.401	Negative charged surface: 285.787	Volume: 281.5
Hydrophobic surface: 333.776	Hydrophilic surface: 211.412

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

search links for this molecule:

Parent related molecule:

MMs00864548
CHEMDIV-ZINC01229471