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MMsINC code: MMs02838170

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₄

SMILES:

ClC1=C(Nc2ccc(cc2)C(O)=O)C(=O)N(C1=O)c1cccc(Cl)c1C

InChI:

InChI=1/C18H12Cl2N2O4/c1-9-12(19)3-2-4-13(9)22-16(23)14(20)15(17(22)24)21-11-7-5-10(6-8-11)18(25)26/h2-8,21H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.672 kcal/mol

Physical Properties
Molecular Weight: 391.21 g/mol	logS: -5.87429	SlogP: 3.89122	Reactive groups: 1

Topological Properties
Globularity: 0.0764282	Sterimol/B1: 2.76451	Sterimol/B2: 4.01269	Sterimol/B3: 5.87254
Sterimol/B4: 6.40479	Sterimol/L: 16.7261

Surface and Volume Properties
Accessible surface: 590.289	Positive charged surface: 244.696	Negative charged surface: 345.592	Volume: 323.875
Hydrophobic surface: 420.391	Hydrophilic surface: 169.898

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

MMs02838171
PUBCHEM-ZINC01989574