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

Formula:C22H25N9O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-dimorpholin-4-yl-N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-dimorpholin-4-yl-N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C22H25N9O4
Smiles	[O-][N+](c1cc(-n2c(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2)ccc1)=O
InChI	InChI=1S/C22H25N9O4/c32-31(33)18-4-1-3-17(15-18)30-6-2-5-19(30)16-23-27-20-24-21(28-7-11-34-12-8-28)26-22(25-20)29-9-13-35-14-10-29/h1-6,15-16H,7-14H2,(H,24,25,26,27)
InChIK	RGPZYDLBODNWMW-UHFFFAOYSA-N
TotalMolweight	479.5
Molweight	479.5
MonoisotopicMass	479.202951
CLogP	2.4066
CLogS	-6.338
H Acceptors	13
H Donors	1
TotalSurfaceArea	361.83
Relative PSA	0.33239
PolarSurfaceArea	138.75
Druglikeness	-1.1713
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.48571
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	4
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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