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ACROSORGANICS-ZINC02140957

MMsINC code: MMs00012881

Type: Ionized
Formula: C₈H₆FO₂-

SMILES:

FC(C(=O)[O-])c1ccccc1

InChI:

InChI=1/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/p-1/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.866 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 153.132 g/mol	logS: -1.93842	SlogP: 0.5426	Reactive groups: 0

Topological Properties
Globularity: 0.100424	Sterimol/B1: 3.03188	Sterimol/B2: 3.24011	Sterimol/B3: 3.61558
Sterimol/B4: 3.82903	Sterimol/L: 9.80386

Surface and Volume Properties
Accessible surface: 324.454	Positive charged surface: 138.425	Negative charged surface: 186.029	Volume: 137.125
Hydrophobic surface: 206.331	Hydrophilic surface: 118.123

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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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Parent related molecule:

MMs00012880
ACROSORGANICS-ZINC02140957