MMsINC Database Search


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MMsINC code: MMs00005644

Type: Neutral
Formula: C₈H₇FO₂

SMILES:

Fc1cc(O)ccc1C(=O)C

InChI:

InChI=1/C8H7FO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.8626 kcal/mol

Physical Properties
Molecular Weight: 154.14 g/mol	logS: -1.63018	SlogP: 1.7339	Reactive groups: 0

Topological Properties
Globularity: 0.0225631	Sterimol/B1: 2.35862	Sterimol/B2: 2.39001	Sterimol/B3: 3.36391
Sterimol/B4: 4.6022	Sterimol/L: 10.7343

Surface and Volume Properties
Accessible surface: 320.268	Positive charged surface: 171.018	Negative charged surface: 149.25	Volume: 137.625
Hydrophobic surface: 231.455	Hydrophilic surface: 88.813

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.