MMsINC Database Search


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MMsINC code: MMs00053049

Type: Neutral
Formula: C₈H₉FO

SMILES:

Fc1cc(CC)c(O)cc1

InChI:

InChI=1/C8H9FO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.368 kcal/mol

Physical Properties
Molecular Weight: 140.157 g/mol	logS: -1.9936	SlogP: 2.09367	Reactive groups: 0

Topological Properties
Globularity: 0.116287	Sterimol/B1: 2.0806	Sterimol/B2: 3.39582	Sterimol/B3: 3.56684
Sterimol/B4: 4.28169	Sterimol/L: 10.065

Surface and Volume Properties
Accessible surface: 319.084	Positive charged surface: 184.925	Negative charged surface: 134.159	Volume: 136.75
Hydrophobic surface: 255.74	Hydrophilic surface: 63.344

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

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Ions/Tautomers related molecules: no related molecules available.