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MMsINC code: MMs01075228

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

O(c1ccc(cc1)C(=O)Nc1ccccc1C(O)=O)c1ccccc1

InChI:

InChI=1/C20H15NO4/c22-19(21-18-9-5-4-8-17(18)20(23)24)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.596 kcal/mol

Physical Properties
Molecular Weight: 333.343 g/mol	logS: -5.10698	SlogP: 4.4294	Reactive groups: 0

Topological Properties
Globularity: 0.0481444	Sterimol/B1: 2.8531	Sterimol/B2: 4.81164	Sterimol/B3: 4.88076
Sterimol/B4: 4.98829	Sterimol/L: 18.4804

Surface and Volume Properties
Accessible surface: 579.265	Positive charged surface: 315.325	Negative charged surface: 263.94	Volume: 309.75
Hydrophobic surface: 465.888	Hydrophilic surface: 113.377

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs01075229
CHEMSTAR-ZINC00467029