2-[4-[(Z)-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C21H27N7O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[4-[(Z)-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[4-[(Z)-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C21H27N7O4
Smiles	OC(COc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCCCC3)n2)cc1)=O
InChI	InChI=1S/C21H27N7O4/c29-18(30)15-32-17-6-4-16(5-7-17)14-22-26-19-23-20(27-8-2-1-3-9-27)25-21(24-19)28-10-12-31-13-11-28/h4-7,14H,1-3,8-13,15H2,(H,29,30)(H,23,24,25,26)
InChIK	FQGNBMMZVHUUEW-UHFFFAOYSA-N
TotalMolweight	441.49
Molweight	441.49
MonoisotopicMass	441.212453
CLogP	3.3133
CLogS	-4.223
H Acceptors	11
H Donors	2
TotalSurfaceArea	340.82
Relative PSA	0.32017
PolarSurfaceArea	125.3
Druglikeness	1.6921
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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