MMsINC Database Search


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MMsINC code: MMs01636937

Type: Neutral
Formula: C₁₆H₁₀F₂N₂O

SMILES:

Fc1cc(F)ccc1NC(=O)c1nc2c(cc1)cccc2

InChI:

InChI=1/C16H10F2N2O/c17-11-6-8-14(12(18)9-11)20-16(21)15-7-5-10-3-1-2-4-13(10)19-15/h1-9H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1894 kcal/mol

Physical Properties
Molecular Weight: 284.265 g/mol	logS: -4.68629	SlogP: 3.7653	Reactive groups: 0

Topological Properties
Globularity: 0.0108774	Sterimol/B1: 2.57259	Sterimol/B2: 2.61176	Sterimol/B3: 3.57742
Sterimol/B4: 5.00452	Sterimol/L: 16.473

Surface and Volume Properties
Accessible surface: 490.391	Positive charged surface: 236.799	Negative charged surface: 248.056	Volume: 249.375
Hydrophobic surface: 432.204	Hydrophilic surface: 58.187

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.