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MMsINC code: MMs03715991

Type: Ionized
Formula: C₁₀H₄ClFNO₃-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5611 kcal/mol

Physical Properties
Molecular Weight: 240.597 g/mol	logS: -3.20281	SlogP: 0.7211	Reactive groups: 1

Topological Properties
Globularity: 0.013334	Sterimol/B1: 2.56312	Sterimol/B2: 2.59433	Sterimol/B3: 2.82828
Sterimol/B4: 5.46485	Sterimol/L: 12.7608

Surface and Volume Properties
Accessible surface: 387.046	Positive charged surface: 133.48	Negative charged surface: 253.566	Volume: 181.75
Hydrophobic surface: 231.863	Hydrophilic surface: 155.183

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

search links for this molecule:

Parent related molecule:

MMs03715990
PUBCHEM-ZINC06413870