MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00007177

Type: Neutral
Formula: C₇H₇FO

SMILES:

Fc1cc(C)c(O)cc1

InChI:

InChI=1/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.3948 kcal/mol

Physical Properties
Molecular Weight: 126.13 g/mol	logS: -1.47838	SlogP: 1.83972	Reactive groups: 0

Topological Properties
Globularity: 0.0402592	Sterimol/B1: 2.16196	Sterimol/B2: 2.5064	Sterimol/B3: 3.26693
Sterimol/B4: 4.39301	Sterimol/L: 8.74336

Surface and Volume Properties
Accessible surface: 293.543	Positive charged surface: 160.265	Negative charged surface: 133.277	Volume: 120
Hydrophobic surface: 249.474	Hydrophilic surface: 44.069

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.