MMsINC Database Search


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MMsINC code: MMs02367681

Type: Neutral
Formula: C₉H₉FO

SMILES:

Fc1ccc(cc1C)C(=O)C

InChI:

InChI=1/C9H9FO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2373 kcal/mol

Physical Properties
Molecular Weight: 152.168 g/mol	logS: -2.1526	SlogP: 2.33672	Reactive groups: 0

Topological Properties
Globularity: 0.0266272	Sterimol/B1: 2.3776	Sterimol/B2: 2.51205	Sterimol/B3: 3.04773
Sterimol/B4: 5.34417	Sterimol/L: 10.5853

Surface and Volume Properties
Accessible surface: 335.833	Positive charged surface: 176.729	Negative charged surface: 159.104	Volume: 147.875
Hydrophobic surface: 293.312	Hydrophilic surface: 42.521

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.