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MMsINC code: MMs02834019

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1cccc(C)c1C

InChI:

InChI=1/C19H15ClN2O4/c1-10-5-3-8-14(11(10)2)22-17(23)15(20)16(18(22)24)21-13-7-4-6-12(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)=112.826 kcal/mol

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

Topological Properties
Globularity: 0.0843611	Sterimol/B1: 2.1792	Sterimol/B2: 4.83452	Sterimol/B3: 4.93799
Sterimol/B4: 6.5779	Sterimol/L: 17.4083

Surface and Volume Properties
Accessible surface: 601.824	Positive charged surface: 283.357	Negative charged surface: 318.467	Volume: 326.75
Hydrophobic surface: 433.482	Hydrophilic surface: 168.342

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

MMs02834020
PUBCHEM-ZINC01948174