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MMsINC code: MMs00849410

Type: Ionized
Formula: C₁₇H₁₁N₂O₅-

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(=O)NCC(=O)[O-]

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7003 kcal/mol

Physical Properties
Molecular Weight: 323.284 g/mol	logS: -4.16101	SlogP: -0.0331	Reactive groups: 0

Topological Properties
Globularity: 0.00785843	Sterimol/B1: 2.54139	Sterimol/B2: 2.69966	Sterimol/B3: 3.08576
Sterimol/B4: 5.51668	Sterimol/L: 18.5782

Surface and Volume Properties
Accessible surface: 540.683	Positive charged surface: 264.859	Negative charged surface: 275.824	Volume: 280.75
Hydrophobic surface: 332.934	Hydrophilic surface: 207.749

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:

MMs00849409
CHEMDIV-ZINC00316304