MMsINC Database Search


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MMsINC code: MMs02095661

Type: Neutral
Formula: C₁₇H₁₀F₆N₂

SMILES:

FC(F)(F)c1n(nc(c1)C(F)(F)F)-c1ccccc1-c1ccccc1

InChI:

InChI=1/C17H10F6N2/c18-16(19,20)14-10-15(17(21,22)23)25(24-14)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.961 kcal/mol

Physical Properties
Molecular Weight: 356.269 g/mol	logS: -6.38411	SlogP: 6.1999	Reactive groups: 0

Topological Properties
Globularity: 0.209	Sterimol/B1: 2.85179	Sterimol/B2: 3.04936	Sterimol/B3: 4.81395
Sterimol/B4: 7.78967	Sterimol/L: 11.5131

Surface and Volume Properties
Accessible surface: 505.46	Positive charged surface: 183.128	Negative charged surface: 320.384	Volume: 280
Hydrophobic surface: 311.627	Hydrophilic surface: 193.833

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

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Ions/Tautomers related molecules: no related molecules available.