MMsINC Database Search


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MMsINC code: MMs00006903

Type: Neutral
Formula: C₈H₉FO

SMILES:

Fc1ccc(cc1)C(O)C

InChI:

InChI=1/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6506 kcal/mol

Physical Properties
Molecular Weight: 140.157 g/mol	logS: -1.77809	SlogP: 1.9745	Reactive groups: 0

Topological Properties
Globularity: 0.122814	Sterimol/B1: 2.04418	Sterimol/B2: 3.42062	Sterimol/B3: 3.86948
Sterimol/B4: 3.96688	Sterimol/L: 10.3095

Surface and Volume Properties
Accessible surface: 318.959	Positive charged surface: 183.172	Negative charged surface: 135.788	Volume: 137.25
Hydrophobic surface: 252.387	Hydrophilic surface: 66.572

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.