MMsINC Database Search


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

MMsINC code: MMs00122954

Type: Neutral
Formula: C₁₉H₁₀F₄N₂

SMILES:

Fc1c(F)c(F)c2n(nc(c2c1F)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C19H10F4N2/c20-14-13-18(11-7-3-1-4-8-11)24-25(12-9-5-2-6-10-12)19(13)17(23)16(22)15(14)21/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1713 kcal/mol

Physical Properties
Molecular Weight: 342.295 g/mol	logS: -6.96057	SlogP: 5.2489	Reactive groups: 0

Topological Properties
Globularity: 0.0380844	Sterimol/B1: 2.76669	Sterimol/B2: 2.95667	Sterimol/B3: 3.22317
Sterimol/B4: 7.78424	Sterimol/L: 15.174

Surface and Volume Properties
Accessible surface: 530.513	Positive charged surface: 238.704	Negative charged surface: 286.023	Volume: 286.5
Hydrophobic surface: 516.283	Hydrophilic surface: 14.23

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.