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MMsINC code: MMs01981462

Type: Neutral
Formula: C₁₇H₁₀Cl₂N₂O₄

SMILES:

ClC1=C(Nc2ccc(cc2)C(O)=O)C(=O)N(C1=O)c1cc(Cl)ccc1

InChI:

InChI=1/C17H10Cl2N2O4/c18-10-2-1-3-12(8-10)21-15(22)13(19)14(16(21)23)20-11-6-4-9(5-7-11)17(24)25/h1-8,20H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4567 kcal/mol

Physical Properties
Molecular Weight: 377.183 g/mol	logS: -5.71382	SlogP: 3.5828	Reactive groups: 1

Topological Properties
Globularity: 0.0609699	Sterimol/B1: 2.70341	Sterimol/B2: 4.37083	Sterimol/B3: 4.96258
Sterimol/B4: 6.85151	Sterimol/L: 15.9359

Surface and Volume Properties
Accessible surface: 573.21	Positive charged surface: 230.317	Negative charged surface: 342.893	Volume: 303.375
Hydrophobic surface: 401.043	Hydrophilic surface: 172.167

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

MMs01981463
IFLAB-ZINC00946359