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

Formula:C22H22N7OF3 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-N-benzyl-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-benzyl-6-morpholin-4-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C22H22N7OF3
Smiles	FC(c1c(/C=N\Nc2nc(N3CCOCC3)nc(NCc3ccccc3)n2)cccc1)(F)F
InChI	InChI=1S/C22H22F3N7O/c23-22(24,25)18-9-5-4-8-17(18)15-27-31-20-28-19(26-14-16-6-2-1-3-7-16)29-21(30-20)32-10-12-33-13-11-32/h1-9,15H,10-14H2,(H2,26,28,29,30,31)
InChIK	SQLBMLFQBJBGCI-UHFFFAOYSA-N
TotalMolweight	457.459
Molweight	457.459
MonoisotopicMass	457.183792
CLogP	5.8449
CLogS	-5.599
H Acceptors	8
H Donors	2
TotalSurfaceArea	341.8
Relative PSA	0.23666
PolarSurfaceArea	87.56
Druglikeness	-3.7004
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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