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MMsINC code: MMs00723157

Type: Ionized
Formula: C₂₀H₁₅N₂O₅-

SMILES:

o1cccc1C(=O)Nc1cc(ccc1)C(=O)Nc1cccc(C(=O)[O-])c1C

InChI:

InChI=1/C20H16N2O5/c1-12-15(20(25)26)7-3-8-16(12)22-18(23)13-5-2-6-14(11-13)21-19(24)17-9-4-10-27-17/h2-11H,1H3,(H,21,24)(H,22,23)(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6794 kcal/mol

Physical Properties
Molecular Weight: 363.349 g/mol	logS: -5.46675	SlogP: 2.45612	Reactive groups: 0

Topological Properties
Globularity: 0.0358508	Sterimol/B1: 2.31696	Sterimol/B2: 3.95917	Sterimol/B3: 4.48179
Sterimol/B4: 6.0454	Sterimol/L: 19.9298

Surface and Volume Properties
Accessible surface: 614.865	Positive charged surface: 292.513	Negative charged surface: 322.352	Volume: 332
Hydrophobic surface: 452.048	Hydrophilic surface: 162.817

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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:

MMs00723156
CHEMBRIDGE-ZINC02837077