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ALFAAESAR-ZINC02562255

MMsINC code: MMs00023791

Type: Ionized
Formula: C₇H₄FO₃-

SMILES:

Fc1ccc(cc1O)C(=O)[O-]

InChI:

InChI=1/C7H5FO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.6766 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 155.104 g/mol	logS: -1.54776	SlogP: -0.1052	Reactive groups: 0

Topological Properties
Globularity: 1.44695e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09752	Sterimol/B3: 2.86382
Sterimol/B4: 4.88616	Sterimol/L: 9.62597

Surface and Volume Properties
Accessible surface: 297.816	Positive charged surface: 123.947	Negative charged surface: 173.868	Volume: 122.5
Hydrophobic surface: 163.068	Hydrophilic surface: 134.748

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:

MMs00023790
ALFAAESAR-ZINC02562255