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MMsINC code: MMs02833075

Type: Neutral
Formula: C₁₈H₁₃ClN₂O₄

SMILES:

ClC1=C(Nc2ccc(cc2)C(O)=O)C(=O)N(C1=O)c1ccccc1C

InChI:

InChI=1/C18H13ClN2O4/c1-10-4-2-3-5-13(10)21-16(22)14(19)15(17(21)23)20-12-8-6-11(7-9-12)18(24)25/h2-9,20H,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.026 kcal/mol

Physical Properties
Molecular Weight: 356.765 g/mol	logS: -5.14	SlogP: 3.23782	Reactive groups: 1

Topological Properties
Globularity: 0.0749969	Sterimol/B1: 2.45503	Sterimol/B2: 4.01109	Sterimol/B3: 5.89164
Sterimol/B4: 6.39981	Sterimol/L: 15.6625

Surface and Volume Properties
Accessible surface: 576.486	Positive charged surface: 266.714	Negative charged surface: 309.772	Volume: 309.625
Hydrophobic surface: 406.693	Hydrophilic surface: 169.793

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

MMs02833076
PUBCHEM-ZINC01939868