[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate

Formula:C25H26N7O4I Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
MolecularFormula	C25H26N7O4I
Smiles	O=C(c(cccc1)c1I)Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChI	InChI=1S/C25H26IN7O4/c26-21-4-2-1-3-20(21)22(34)37-19-7-5-18(6-8-19)17-27-31-23-28-24(32-9-13-35-14-10-32)30-25(29-23)33-11-15-36-16-12-33/h1-8,17H,9-16H2,(H,28,29,30,31)
InChIK	FWYYPOABTWMCFK-UHFFFAOYSA-N
TotalMolweight	615.426
Molweight	615.426
MonoisotopicMass	615.109101
CLogP	5.4681
CLogS	-6.027
H Acceptors	11
H Donors	1
TotalSurfaceArea	402.99
Relative PSA	0.26308
PolarSurfaceArea	114.3
Druglikeness	3.4645
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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