4,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3,5-triazin-2-amine

Formula:C20H24N8O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3,5-triazin-2-amine
MolecularFormula	C20H24N8O4
Smiles	[O-][N+](c1ccc(/C=C/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)=O
InChI	InChI=1S/C20H24N8O4/c29-28(30)17-5-3-16(4-6-17)2-1-7-21-25-18-22-19(26-8-12-31-13-9-26)24-20(23-18)27-10-14-32-15-11-27/h1-7H,8-15H2,(H,22,23,24,25)
InChIK	QIDAZPCGULXQRX-UHFFFAOYSA-N
TotalMolweight	440.463
Molweight	440.463
MonoisotopicMass	440.192052
CLogP	2.186
CLogS	-4.293
H Acceptors	12
H Donors	1
TotalSurfaceArea	339.37
Relative PSA	0.33415
PolarSurfaceArea	133.82
Druglikeness	-1.8188
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 4,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3,5-triazin-2-amine | 2 - 4,6-dimorpholin-4-yl-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3,5-triazin-2-amine

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