MMsINC Database Search


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

MMsINC code: MMs03268153

Type: Neutral
Formula: C₈H₈FNO₂

SMILES:

Fc1cc(O)ccc1NC(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9219 kcal/mol

Physical Properties
Molecular Weight: 169.155 g/mol	logS: -1.52736	SlogP: 1.4897	Reactive groups: 0

Topological Properties
Globularity: 0.0243082	Sterimol/B1: 2.33862	Sterimol/B2: 2.53031	Sterimol/B3: 3.66745
Sterimol/B4: 4.1797	Sterimol/L: 11.644

Surface and Volume Properties
Accessible surface: 343.97	Positive charged surface: 198.6	Negative charged surface: 145.369	Volume: 149.25
Hydrophobic surface: 243.555	Hydrophilic surface: 100.415

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.