2-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C23H20N7O2FI2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C23H20N7O2FI2
Smiles	C#CCOc(c(/C=N\Nc1nc(N2CCOCC2)nc(Nc(cc2)ccc2F)n1)cc(I)c1)c1I
InChI	InChI=1S/C23H20FI2N7O2/c1-2-9-35-20-15(12-17(25)13-19(20)26)14-27-32-22-29-21(28-18-5-3-16(24)4-6-18)30-23(31-22)33-7-10-34-11-8-33/h1,3-6,12-14H,7-11H2,(H2,28,29,30,31,32)
InChIK	PEAWWMPBFTVKML-UHFFFAOYSA-N
TotalMolweight	699.257
Molweight	699.257
MonoisotopicMass	698.975197
CLogP	6.3941
CLogS	-8.004
H Acceptors	9
H Donors	2
TotalSurfaceArea	405.06
Relative PSA	0.22439
PolarSurfaceArea	96.79
Druglikeness	2.509
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

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