MMsINC Database Search


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MMsINC code: MMs00054369

Type: Neutral
Formula: C₈H₉FO

SMILES:

Fc1cc(OC)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.6234 kcal/mol

Physical Properties
Molecular Weight: 140.157 g/mol	logS: -1.89071	SlogP: 2.14272	Reactive groups: 0

Topological Properties
Globularity: 0.0435975	Sterimol/B1: 1.969	Sterimol/B2: 2.38124	Sterimol/B3: 2.51222
Sterimol/B4: 7.10206	Sterimol/L: 9.5164

Surface and Volume Properties
Accessible surface: 321.49	Positive charged surface: 206.482	Negative charged surface: 115.008	Volume: 138.375
Hydrophobic surface: 318.122	Hydrophilic surface: 3.368

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.