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

Formula:C25H24N8O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-N-benzyl-6-morpholin-4-yl-2-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-benzyl-6-morpholin-4-yl-2-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C25H24N8O4
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=N\Nc2nc(N3CCOCC3)nc(NCc3ccccc3)n2)o1)=O
InChI	InChI=1S/C25H24N8O4/c34-33(35)20-8-6-19(7-9-20)22-11-10-21(37-22)17-27-31-24-28-23(26-16-18-4-2-1-3-5-18)29-25(30-24)32-12-14-36-15-13-32/h1-11,17H,12-16H2,(H2,26,28,29,30,31)
InChIK	BLVWNWPRWFIJHT-UHFFFAOYSA-N
TotalMolweight	500.518
Molweight	500.518
MonoisotopicMass	500.192052
CLogP	4.5027
CLogS	-6.741
H Acceptors	12
H Donors	2
TotalSurfaceArea	385.46
Relative PSA	0.32538
PolarSurfaceArea	146.52
Druglikeness	0.28238
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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

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