4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine

Formula:C21H19N7OF4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H19N7OF4
Smiles	FC(c1c(/C=N\Nc2nc(Nc(cc3)ccc3F)nc(N3CCOCC3)n2)cccc1)(F)F
InChI	InChI=1S/C21H19F4N7O/c22-15-5-7-16(8-6-15)27-18-28-19(30-20(29-18)32-9-11-33-12-10-32)31-26-13-14-3-1-2-4-17(14)21(23,24)25/h1-8,13H,9-12H2,(H2,27,28,29,30,31)
InChIK	OOWGKJHNBUYTEW-UHFFFAOYSA-N
TotalMolweight	461.422
Molweight	461.422
MonoisotopicMass	461.15872
CLogP	6.411
CLogS	-6.108
H Acceptors	8
H Donors	2
TotalSurfaceArea	334.39
Relative PSA	0.2419
PolarSurfaceArea	87.56
Druglikeness	-3.7641
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine | 2 - 4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine

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