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MMsINC code: MMs02834099

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1cc(ccc1C)C

InChI:

InChI=1/C19H15ClN2O4/c1-10-6-7-11(2)14(8-10)22-17(23)15(20)16(18(22)24)21-13-5-3-4-12(9-13)19(25)26/h3-9,21H,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.454 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.61392	SlogP: 3.54624	Reactive groups: 1

Topological Properties
Globularity: 0.074925	Sterimol/B1: 2.19267	Sterimol/B2: 4.02544	Sterimol/B3: 4.75734
Sterimol/B4: 7.91495	Sterimol/L: 16.8108

Surface and Volume Properties
Accessible surface: 603.272	Positive charged surface: 289.45	Negative charged surface: 313.822	Volume: 326.625
Hydrophobic surface: 432.585	Hydrophilic surface: 170.687

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02834100
PUBCHEM-ZINC01948428