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MMsINC code: MMs00723156

Type: Neutral
Formula: C₂₀H₁₆N₂O₅

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.098 kcal/mol

Physical Properties
Molecular Weight: 364.357 g/mol	logS: -5.2063	SlogP: 3.79082	Reactive groups: 0

Topological Properties
Globularity: 0.027756	Sterimol/B1: 2.40293	Sterimol/B2: 4.03863	Sterimol/B3: 4.4482
Sterimol/B4: 6.26092	Sterimol/L: 20.0673

Surface and Volume Properties
Accessible surface: 613.892	Positive charged surface: 329.481	Negative charged surface: 284.41	Volume: 329.125
Hydrophobic surface: 443.006	Hydrophilic surface: 170.886

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs00723157
CHEMBRIDGE-ZINC02837077