MMsINC Database Search


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MMsINC code: MMs02249670

Type: Neutral
Formula: C₉H₆FNO₂

SMILES:

Fc1cc2c(CC(=O)NC2=O)cc1

InChI:

InChI=1/C9H6FNO2/c10-6-2-1-5-3-8(12)11-9(13)7(5)4-6/h1-2,4H,3H2,(H,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.749 kcal/mol

Physical Properties
Molecular Weight: 179.15 g/mol	logS: -2.39717	SlogP: 0.63817	Reactive groups: 0

Topological Properties
Globularity: 0.0178816	Sterimol/B1: 2.36305	Sterimol/B2: 2.36706	Sterimol/B3: 3.19441
Sterimol/B4: 5.26114	Sterimol/L: 10.5978

Surface and Volume Properties
Accessible surface: 328	Positive charged surface: 167.953	Negative charged surface: 160.047	Volume: 149.25
Hydrophobic surface: 206.024	Hydrophilic surface: 121.976

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.