4,6-dimorpholin-4-yl-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine

Formula:C22H24N8O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-dimorpholin-4-yl-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-dimorpholin-4-yl-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C22H24N8O5
Smiles	[O-][N+](c1cc(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccc1)=O
InChI	InChI=1S/C22H24N8O5/c31-30(32)17-3-1-2-16(14-17)19-5-4-18(35-19)15-23-27-20-24-21(28-6-10-33-11-7-28)26-22(25-20)29-8-12-34-13-9-29/h1-5,14-15H,6-13H2,(H,24,25,26,27)
InChIK	CFOQJUMTPDYPJM-UHFFFAOYSA-N
TotalMolweight	480.484
Molweight	480.484
MonoisotopicMass	480.186967
CLogP	3.1066
CLogS	-5.461
H Acceptors	13
H Donors	1
TotalSurfaceArea	362.32
Relative PSA	0.35193
PolarSurfaceArea	146.96
Druglikeness	0.087166
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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