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

Formula:C24H21N8O4F Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C24H21N8O4F
Smiles	[O-][N+](c1cccc(-c2ccc(/C=N\Nc3nc(Nc(cc4)ccc4F)nc(N4CCOCC4)n3)o2)c1)=O
InChI	InChI=1S/C24H21FN8O4/c25-17-4-6-18(7-5-17)27-22-28-23(30-24(29-22)32-10-12-36-13-11-32)31-26-15-20-8-9-21(37-20)16-2-1-3-19(14-16)33(34)35/h1-9,14-15H,10-13H2,(H2,27,28,29,30,31)
InChIK	JABFKKUHOWKURP-UHFFFAOYSA-N
TotalMolweight	504.481
Molweight	504.481
MonoisotopicMass	504.16698
CLogP	5.0688
CLogS	-7.25
H Acceptors	12
H Donors	2
TotalSurfaceArea	378.05
Relative PSA	0.33176
PolarSurfaceArea	146.52
Druglikeness	-1.1292
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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

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