MMsINC Database Search


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MMsINC code: MMs00005628

Type: Neutral
Formula: C₈H₇FO

SMILES:

Fc1ccc(cc1)C(=O)C

InChI:

InChI=1/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.5697 kcal/mol

Physical Properties
Molecular Weight: 138.141 g/mol	logS: -1.99213	SlogP: 2.0283	Reactive groups: 0

Topological Properties
Globularity: 0.0197218	Sterimol/B1: 2.37469	Sterimol/B2: 2.37542	Sterimol/B3: 3.60836
Sterimol/B4: 4.15312	Sterimol/L: 10.4181

Surface and Volume Properties
Accessible surface: 308.902	Positive charged surface: 149.958	Negative charged surface: 158.944	Volume: 129.875
Hydrophobic surface: 268.717	Hydrophilic surface: 40.185

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.