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

Formula:C22H23N7O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C22H23N7O4
Smiles	OC(COc1cc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)ccc1)=O
InChI	InChI=1S/C22H23N7O4/c30-19(31)15-33-18-8-4-5-16(13-18)14-23-28-21-25-20(24-17-6-2-1-3-7-17)26-22(27-21)29-9-11-32-12-10-29/h1-8,13-14H,9-12,15H2,(H,30,31)(H2,24,25,26,27,28)
InChIK	HJDPCRVWGWEOCG-UHFFFAOYSA-N
TotalMolweight	449.47
Molweight	449.47
MonoisotopicMass	449.181153
CLogP	4.0107
CLogS	-4.809
H Acceptors	11
H Donors	3
TotalSurfaceArea	346.44
Relative PSA	0.33781
PolarSurfaceArea	134.09
Druglikeness	3.5626
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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