MMsINC Database Search


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MMsINC code: MMs00230217

Type: Neutral
Formula: C₂₂H₁₆FN₃O

SMILES:

Fc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1

InChI:

InChI=1/C22H16FN3O/c23-17-11-13-18(14-12-17)24-22(27)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.685 kcal/mol

Physical Properties
Molecular Weight: 357.388 g/mol	logS: -6.19894	SlogP: 4.9307	Reactive groups: 0

Topological Properties
Globularity: 0.0270107	Sterimol/B1: 2.44666	Sterimol/B2: 2.75351	Sterimol/B3: 3.25744
Sterimol/B4: 10.579	Sterimol/L: 17.2149

Surface and Volume Properties
Accessible surface: 622.283	Positive charged surface: 311.6	Negative charged surface: 310.683	Volume: 339.25
Hydrophobic surface: 572.574	Hydrophilic surface: 49.709

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.