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MMsINC code: MMs02838191

Type: Ionized
Formula: C₁₇H₈Cl₂FN₂O₄-

SMILES:

ClC1=C(Nc2cc(ccc2)C(=O)[O-])C(=O)N(C1=O)c1cc(Cl)c(F)cc1

InChI:

InChI=1/C17H9Cl2FN2O4/c18-11-7-10(4-5-12(11)20)22-15(23)13(19)14(16(22)24)21-9-3-1-2-8(6-9)17(25)26/h1-7,21H,(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6551 kcal/mol

Physical Properties
Molecular Weight: 394.165 g/mol	logS: -6.26925	SlogP: 2.3872	Reactive groups: 1

Topological Properties
Globularity: 0.044968	Sterimol/B1: 2.097	Sterimol/B2: 4.72739	Sterimol/B3: 5.86688
Sterimol/B4: 6.34042	Sterimol/L: 15.0763

Surface and Volume Properties
Accessible surface: 573.797	Positive charged surface: 196.822	Negative charged surface: 376.975	Volume: 307.75
Hydrophobic surface: 416.086	Hydrophilic surface: 157.711

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02838190
PUBCHEM-ZINC01989586