MMsINC Database Search


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MMsINC code: MMs03453432

Type: Neutral
Formula: C₂₀H₁₄F₂N₂

SMILES:

Fc1cccc(F)c1Cn1c2c(nc1-c1ccccc1)cccc2

InChI:

InChI=1/C20H14F2N2/c21-16-9-6-10-17(22)15(16)13-24-19-12-5-4-11-18(19)23-20(24)14-7-2-1-3-8-14/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1563 kcal/mol

Physical Properties
Molecular Weight: 320.342 g/mol	logS: -6.74211	SlogP: 5.2962	Reactive groups: 0

Topological Properties
Globularity: 0.164255	Sterimol/B1: 3.54984	Sterimol/B2: 3.56535	Sterimol/B3: 3.88705
Sterimol/B4: 7.68341	Sterimol/L: 13.7868

Surface and Volume Properties
Accessible surface: 516.158	Positive charged surface: 282.147	Negative charged surface: 234.011	Volume: 297.75
Hydrophobic surface: 487.445	Hydrophilic surface: 28.713

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.