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MMsINC code: MMs01363362

Type: Neutral
Formula: C₂₄H₁₉FN₄O

SMILES:

Fc1ccccc1C(NNC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)=C

InChI:

InChI=1/C24H19FN4O/c1-17(20-14-8-9-15-22(20)25)26-27-24(30)21-16-29(19-12-6-3-7-13-19)28-23(21)18-10-4-2-5-11-18/h2-16,26H,1H2,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.348 kcal/mol

Physical Properties
Molecular Weight: 398.441 g/mol	logS: -6.40205	SlogP: 4.5837	Reactive groups: 1

Topological Properties
Globularity: 0.0264404	Sterimol/B1: 3.32962	Sterimol/B2: 3.36191	Sterimol/B3: 4.12648
Sterimol/B4: 10.5683	Sterimol/L: 19.0648

Surface and Volume Properties
Accessible surface: 689.184	Positive charged surface: 342.373	Negative charged surface: 346.811	Volume: 382
Hydrophobic surface: 583.58	Hydrophilic surface: 105.604

Pharmacophoric Properties
Hydrogen bond donors: 2	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.