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MMsINC code: MMs02838190

Type: Neutral
Formula: C₁₇H₉Cl₂FN₂O₄

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3026 kcal/mol

Physical Properties
Molecular Weight: 395.173 g/mol	logS: -6.0088	SlogP: 3.7219	Reactive groups: 1

Topological Properties
Globularity: 0.0922039	Sterimol/B1: 3.4915	Sterimol/B2: 4.48098	Sterimol/B3: 5.59262
Sterimol/B4: 5.89251	Sterimol/L: 14.9743

Surface and Volume Properties
Accessible surface: 576.824	Positive charged surface: 221.896	Negative charged surface: 354.928	Volume: 309.875
Hydrophobic surface: 409.26	Hydrophilic surface: 167.564

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

MMs02838191
PUBCHEM-ZINC01989586