MMsINC Database Search


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MMsINC code: MMs00023651

Type: Neutral
Formula: C₈H₇FO₂

SMILES:

Fc1cc(ccc1O)C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2769 kcal/mol

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

Topological Properties
Globularity: 0.0224679	Sterimol/B1: 2.03806	Sterimol/B2: 2.5069	Sterimol/B3: 3.60475
Sterimol/B4: 4.34769	Sterimol/L: 10.6278

Surface and Volume Properties
Accessible surface: 323.08	Positive charged surface: 167.461	Negative charged surface: 155.619	Volume: 137.375
Hydrophobic surface: 232.064	Hydrophilic surface: 91.016

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.