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ACROSORGANICS-ZINC00225404

MMsINC code: MMs00006501

Type: Ionized
Formula: C₈H₆FO₃-

SMILES:

Fc1cc(ccc1OC)C(=O)[O-]

InChI:

InChI=1/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.263 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 169.131 g/mol	logS: -1.96009	SlogP: 0.1978	Reactive groups: 0

Topological Properties
Globularity: 0.014958	Sterimol/B1: 2.38829	Sterimol/B2: 2.3885	Sterimol/B3: 3.50819
Sterimol/B4: 4.42178	Sterimol/L: 11.6247

Surface and Volume Properties
Accessible surface: 331.832	Positive charged surface: 174.466	Negative charged surface: 157.367	Volume: 145.25
Hydrophobic surface: 235.643	Hydrophilic surface: 96.189

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs00006500
ACROSORGANICS-ZINC00225404