MMsINC Database Search


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MMsINC code: MMs00046169

Type: Neutral
Formula: C₈H₈FNO₂

SMILES:

Fc1cccc(OC)c1C(=O)N

InChI:

InChI=1/C8H8FNO2/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H2,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.0972 kcal/mol

Physical Properties
Molecular Weight: 169.155 g/mol	logS: -1.98236	SlogP: 0.9332	Reactive groups: 0

Topological Properties
Globularity: 0.0966033	Sterimol/B1: 2.52989	Sterimol/B2: 2.84726	Sterimol/B3: 3.29392
Sterimol/B4: 6.37211	Sterimol/L: 8.68705

Surface and Volume Properties
Accessible surface: 345.975	Positive charged surface: 213.201	Negative charged surface: 132.774	Volume: 149.625
Hydrophobic surface: 239.447	Hydrophilic surface: 106.528

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.