MMsINC Database Search


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MMsINC code: MMs02145823

Type: Neutral
Formula: C₁₁H₉F₃N₂

SMILES:

FC(F)(F)c1nc2c(cc1)c(N)c(cc2)C

InChI:

InChI=1/C11H9F3N2/c1-6-2-4-8-7(10(6)15)3-5-9(16-8)11(12,13)14/h2-5H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9337 kcal/mol

Physical Properties
Molecular Weight: 226.201 g/mol	logS: -3.06424	SlogP: 3.45572	Reactive groups: 0

Topological Properties
Globularity: 0.0209047	Sterimol/B1: 2.16166	Sterimol/B2: 2.81051	Sterimol/B3: 4.20709
Sterimol/B4: 4.27895	Sterimol/L: 12.0492

Surface and Volume Properties
Accessible surface: 394.787	Positive charged surface: 175.482	Negative charged surface: 213.995	Volume: 187.75
Hydrophobic surface: 229.516	Hydrophilic surface: 165.271

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.