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

Formula:C24H22N8O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-morpholin-4-yl-2-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	6-morpholin-4-yl-2-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine
MolecularFormula	C24H22N8O4
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)o1)=O
InChI	InChI=1S/C24H22N8O4/c33-32(34)20-9-5-4-8-19(20)21-11-10-18(36-21)16-25-30-23-27-22(26-17-6-2-1-3-7-17)28-24(29-23)31-12-14-35-15-13-31/h1-11,16H,12-15H2,(H2,26,27,28,29,30)
InChIK	PURPMGIJFREPSA-UHFFFAOYSA-N
TotalMolweight	486.491
Molweight	486.491
MonoisotopicMass	486.176402
CLogP	4.968
CLogS	-6.936
H Acceptors	12
H Donors	2
TotalSurfaceArea	371.7
Relative PSA	0.33742
PolarSurfaceArea	146.52
Druglikeness	0.21078
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
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 - 6-morpholin-4-yl-2-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine | 2 - 6-morpholin-4-yl-2-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine

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