MMsINC Database Search


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MMsINC code: MMs03591482

Type: Neutral
Formula: C₁₅H₉F₃N₂

SMILES:

Fc1c(F)c(F)ccc1Nc1nc2c(cc1)cccc2

InChI:

InChI=1/C15H9F3N2/c16-10-6-7-12(15(18)14(10)17)20-13-8-5-9-3-1-2-4-11(9)19-13/h1-8H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1517 kcal/mol

Physical Properties
Molecular Weight: 274.245 g/mol	logS: -4.78994	SlogP: 4.3957	Reactive groups: 0

Topological Properties
Globularity: 0.0241154	Sterimol/B1: 2.36289	Sterimol/B2: 2.98831	Sterimol/B3: 3.47323
Sterimol/B4: 5.91175	Sterimol/L: 14.0404

Surface and Volume Properties
Accessible surface: 455.269	Positive charged surface: 213.624	Negative charged surface: 236.297	Volume: 234.375
Hydrophobic surface: 421.728	Hydrophilic surface: 33.541

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.