MMsINC Database Search


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MMsINC code: MMs00008496

Type: Neutral
Formula: C₁₅H₁₂F₆N₂

SMILES:

FC(F)(F)C(C(F)(F)F)(c1ccc(N)cc1)c1ccc(N)cc1

InChI:

InChI=1/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.558 kcal/mol

Physical Properties
Molecular Weight: 334.263 g/mol	logS: -4.54467	SlogP: 5.1015	Reactive groups: 0

Topological Properties
Globularity: 0.196651	Sterimol/B1: 3.01555	Sterimol/B2: 3.9159	Sterimol/B3: 4.51318
Sterimol/B4: 4.75122	Sterimol/L: 13.2636

Surface and Volume Properties
Accessible surface: 473.799	Positive charged surface: 228.218	Negative charged surface: 245.581	Volume: 257.875
Hydrophobic surface: 213.819	Hydrophilic surface: 259.98

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.