MMsINC Database Search


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MMsINC code: MMs02194256

Type: Neutral
Formula: C₂₂H₁₅FN₄

SMILES:

Fc1ccc(cc1)\C=N\c1cc2c(n(c3nc4c(nc23)cccc4)C)cc1

InChI:

InChI=1/C22H15FN4/c1-27-20-11-10-16(24-13-14-6-8-15(23)9-7-14)12-17(20)21-22(27)26-19-5-3-2-4-18(19)25-21/h2-13H,1H3/b24-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2496 kcal/mol

Physical Properties
Molecular Weight: 354.388 g/mol	logS: -6.61281	SlogP: 5.5236	Reactive groups: 0

Topological Properties
Globularity: 0.0156478	Sterimol/B1: 2.11697	Sterimol/B2: 2.73244	Sterimol/B3: 3.21303
Sterimol/B4: 8.92508	Sterimol/L: 19.6368

Surface and Volume Properties
Accessible surface: 620.469	Positive charged surface: 360.739	Negative charged surface: 254.17	Volume: 336.75
Hydrophobic surface: 560.997	Hydrophilic surface: 59.472

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.