MMsINC Database Search


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

MMsINC code: MMs00529830

Type: Neutral
Formula: C₉H₆FNO₂

SMILES:

Fc1cc2c(N(C)C(=O)C2=O)cc1

InChI:

InChI=1/C9H6FNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6296 kcal/mol

Physical Properties
Molecular Weight: 179.15 g/mol	logS: -2.22971	SlogP: 0.9848	Reactive groups: 0

Topological Properties
Globularity: 0.0179281	Sterimol/B1: 2.09992	Sterimol/B2: 2.51298	Sterimol/B3: 2.79491
Sterimol/B4: 6.05104	Sterimol/L: 10.4046

Surface and Volume Properties
Accessible surface: 336.003	Positive charged surface: 181.748	Negative charged surface: 154.255	Volume: 152.125
Hydrophobic surface: 240.359	Hydrophilic surface: 95.644

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.