MMsINC Database Search


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MMsINC code: MMs00846768

Type: Neutral
Formula: C₂₀H₁₁F₃N₂

SMILES:

Fc1cc(ccc1)-c1nc2cc(F)ccc2nc1-c1cc(F)ccc1

InChI:

InChI=1/C20H11F3N2/c21-14-5-1-3-12(9-14)19-20(13-4-2-6-15(22)10-13)25-18-11-16(23)7-8-17(18)24-19/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.55 kcal/mol

Physical Properties
Molecular Weight: 336.316 g/mol	logS: -6.35938	SlogP: 5.3811	Reactive groups: 0

Topological Properties
Globularity: 0.0617163	Sterimol/B1: 2.10056	Sterimol/B2: 4.3752	Sterimol/B3: 4.46537
Sterimol/B4: 7.31056	Sterimol/L: 13.521

Surface and Volume Properties
Accessible surface: 525.591	Positive charged surface: 248.94	Negative charged surface: 272.423	Volume: 292.875
Hydrophobic surface: 490.539	Hydrophilic surface: 35.052

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.