MMsINC Database Search


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MMsINC code: MMs01913524

Type: Neutral
Formula: C₂₀H₁₄FN₅

SMILES:

Fc1ccccc1\C=N\Nc1nc(nc2c1cccc2)-c1ncccc1

InChI:

InChI=1/C20H14FN5/c21-16-9-3-1-7-14(16)13-23-26-19-15-8-2-4-10-17(15)24-20(25-19)18-11-5-6-12-22-18/h1-13H,(H,24,25,26)/b23-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.932 kcal/mol

Physical Properties
Molecular Weight: 343.365 g/mol	logS: -5.75901	SlogP: 4.2769	Reactive groups: 0

Topological Properties
Globularity: 1.61418e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09875	Sterimol/B3: 5.7495
Sterimol/B4: 8.33682	Sterimol/L: 15.7128

Surface and Volume Properties
Accessible surface: 595.504	Positive charged surface: 344.071	Negative charged surface: 245.898	Volume: 321.5
Hydrophobic surface: 502.288	Hydrophilic surface: 93.216

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.