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

Formula:C21H22N7OBr Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-N-benzyl-2-N-[(Z)-(4-bromophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-benzyl-2-N-[(Z)-(4-bromophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H22N7OBr
Smiles	Brc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(NCc3ccccc3)n2)cc1
InChI	InChI=1S/C21H22BrN7O/c22-18-8-6-17(7-9-18)15-24-28-20-25-19(23-14-16-4-2-1-3-5-16)26-21(27-20)29-10-12-30-13-11-29/h1-9,15H,10-14H2,(H2,23,25,26,27,28)
InChIK	MOAWFKXLTRKEKH-UHFFFAOYSA-N
TotalMolweight	468.358
Molweight	468.358
MonoisotopicMass	467.106919
CLogP	5.7218
CLogS	-5.655
H Acceptors	8
H Donors	2
TotalSurfaceArea	330.97
Relative PSA	0.2444
PolarSurfaceArea	87.56
Druglikeness	1.6996
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
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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