MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02631852

Type: Neutral
Formula: C₁₀H₇F₃N₂

SMILES:

FC(F)(F)c1ccc(nc1)-n1cccc1

InChI:

InChI=1/C10H7F3N2/c11-10(12,13)8-3-4-9(14-7-8)15-5-1-2-6-15/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.6933 kcal/mol

Physical Properties
Molecular Weight: 212.174 g/mol	logS: -1.65564	SlogP: 3.2026	Reactive groups: 0

Topological Properties
Globularity: 0.013588	Sterimol/B1: 2.15711	Sterimol/B2: 2.8141	Sterimol/B3: 2.96551
Sterimol/B4: 4.3065	Sterimol/L: 12.077

Surface and Volume Properties
Accessible surface: 378.178	Positive charged surface: 152.397	Negative charged surface: 225.781	Volume: 174.5
Hydrophobic surface: 222.856	Hydrophilic surface: 155.322

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.