MMsINC Database Search


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

MMsINC code: MMs02249658

Type: Neutral
Formula: C₇H₆FNO₂

SMILES:

Fc1nccc(c1)C(OC)=O

InChI:

InChI=1/C7H6FNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.3762 kcal/mol

Physical Properties
Molecular Weight: 155.128 g/mol	logS: -1.11471	SlogP: 1.0073	Reactive groups: 0

Topological Properties
Globularity: 0.0152709	Sterimol/B1: 2.37469	Sterimol/B2: 2.37542	Sterimol/B3: 3.92296
Sterimol/B4: 3.93246	Sterimol/L: 10.393

Surface and Volume Properties
Accessible surface: 321.973	Positive charged surface: 207.583	Negative charged surface: 114.39	Volume: 134.625
Hydrophobic surface: 247.062	Hydrophilic surface: 74.911

Pharmacophoric Properties
Hydrogen bond donors: 0	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.