MMsINC Database Search


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MMsINC code: MMs00707561

Type: Neutral
Formula: C₂₀H₁₃FN₄O₂

SMILES:

Fc1ccccc1-c1nc(on1)-c1ccccc1C(=O)Nc1cccnc1

InChI:

InChI=1/C20H13FN4O2/c21-17-10-4-3-9-16(17)18-24-20(27-25-18)15-8-2-1-7-14(15)19(26)23-13-6-5-11-22-12-13/h1-12H,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.859 kcal/mol

Physical Properties
Molecular Weight: 360.348 g/mol	logS: -7.0444	SlogP: 4.19	Reactive groups: 0

Topological Properties
Globularity: 0.04071	Sterimol/B1: 2.54319	Sterimol/B2: 3.316	Sterimol/B3: 3.45829
Sterimol/B4: 11.1006	Sterimol/L: 15.8489

Surface and Volume Properties
Accessible surface: 593.14	Positive charged surface: 341.791	Negative charged surface: 251.349	Volume: 320
Hydrophobic surface: 519.31	Hydrophilic surface: 73.83

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.