N-[(Z)-(4-bromophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

Formula:C19H24N7OBr Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(4-bromophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(4-bromophenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
MolecularFormula	C19H24N7OBr
Smiles	Brc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C19H24BrN7O/c20-16-6-4-15(5-7-16)14-21-25-17-22-18(26-8-2-1-3-9-26)24-19(23-17)27-10-12-28-13-11-27/h4-7,14H,1-3,8-13H2,(H,22,23,24,25)
InChIK	IANSOVONMSJSNR-UHFFFAOYSA-N
TotalMolweight	446.352
Molweight	446.352
MonoisotopicMass	445.122569
CLogP	5.4897
CLogS	-5.264
H Acceptors	8
H Donors	1
TotalSurfaceArea	311.59
Relative PSA	0.23422
PolarSurfaceArea	78.77
Druglikeness	-0.19976
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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