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MMsINC code: MMs00625209

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

O(c1ccc(cc1)C(=O)Nc1ccc(cc1)C(O)=O)c1ccccc1

InChI:

InChI=1/C20H15NO4/c22-19(21-16-10-6-15(7-11-16)20(23)24)14-8-12-18(13-9-14)25-17-4-2-1-3-5-17/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)=101.055 kcal/mol

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

Topological Properties
Globularity: 0.0282375	Sterimol/B1: 2.097	Sterimol/B2: 2.75202	Sterimol/B3: 4.77916
Sterimol/B4: 5.07637	Sterimol/L: 20.5833

Surface and Volume Properties
Accessible surface: 589.714	Positive charged surface: 317.784	Negative charged surface: 271.931	Volume: 312.125
Hydrophobic surface: 454.681	Hydrophilic surface: 135.033

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

MMs00625210
CHEMBRIDGE-ZINC00467098