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MMsINC code: MMs03715990

Type: Neutral
Formula: C₁₀H₅ClFNO₃

SMILES:

Clc1cc2NC=C(C(O)=O)C(=O)c2cc1F

InChI:

InChI=1/C10H5ClFNO3/c11-6-2-8-4(1-7(6)12)9(14)5(3-13-8)10(15)16/h1-3H,(H,13,14)(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.7931 kcal/mol

Physical Properties
Molecular Weight: 241.605 g/mol	logS: -2.94236	SlogP: 2.0558	Reactive groups: 1

Topological Properties
Globularity: 2.204e-07	Sterimol/B1: 2.0976	Sterimol/B2: 2.09863	Sterimol/B3: 2.52912
Sterimol/B4: 5.56121	Sterimol/L: 12.9569

Surface and Volume Properties
Accessible surface: 385.752	Positive charged surface: 166.909	Negative charged surface: 218.843	Volume: 185.625
Hydrophobic surface: 234.837	Hydrophilic surface: 150.915

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs03715991
PUBCHEM-ZINC06413870