MMsINC Database Search


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MMsINC code: MMs00382471

Type: Neutral
Formula: C₁₁H₉F₇N₂O

SMILES:

FC(F)(C(F)(F)C(F)(F)F)C(=O)NCCc1ncccc1

InChI:

InChI=1/C11H9F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)20-6-4-7-3-1-2-5-19-7/h1-3,5H,4,6H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.828 kcal/mol

Physical Properties
Molecular Weight: 318.192 g/mol	logS: -2.97693	SlogP: 3.83287	Reactive groups: 1

Topological Properties
Globularity: 0.0357207	Sterimol/B1: 2.54385	Sterimol/B2: 3.03594	Sterimol/B3: 3.6343
Sterimol/B4: 4.61974	Sterimol/L: 16.0196

Surface and Volume Properties
Accessible surface: 480.765	Positive charged surface: 199.935	Negative charged surface: 280.83	Volume: 225.875
Hydrophobic surface: 239.063	Hydrophilic surface: 241.702

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.