MMsINC Database Search


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MMsINC code: MMs01732482

Type: Neutral
Formula: C₂₀H₁₄FN₃O

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1)-c1nc2n(c1)C=CC=C2

InChI:

InChI=1/C20H14FN3O/c21-17-9-2-1-8-16(17)20(25)22-15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)23-18/h1-13H,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3253 kcal/mol

Physical Properties
Molecular Weight: 331.35 g/mol	logS: -5.27587	SlogP: 4.439	Reactive groups: 0

Topological Properties
Globularity: 0.0126302	Sterimol/B1: 2.097	Sterimol/B2: 3.60037	Sterimol/B3: 4.69851
Sterimol/B4: 6.69976	Sterimol/L: 17.8936

Surface and Volume Properties
Accessible surface: 569.958	Positive charged surface: 295.337	Negative charged surface: 274.621	Volume: 310.625
Hydrophobic surface: 509.467	Hydrophilic surface: 60.491

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.