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

Formula:C24H29N9O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C24H29N9O2
Smiles	[O-][N+](c(cc1)ccc1-n1c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1)=O
InChI	InChI=1S/C24H29N9O2/c34-33(35)20-11-9-19(10-12-20)32-17-7-8-21(32)18-25-29-22-26-23(30-13-3-1-4-14-30)28-24(27-22)31-15-5-2-6-16-31/h7-12,17-18H,1-6,13-16H2,(H,26,27,28,29)
InChIK	QYBBXSRIWLFPPR-UHFFFAOYSA-N
TotalMolweight	475.555
Molweight	475.555
MonoisotopicMass	475.244421
CLogP	4.7346
CLogS	-8.116
H Acceptors	11
H Donors	1
TotalSurfaceArea	369.35
Relative PSA	0.27148
PolarSurfaceArea	120.29
Druglikeness	-1.9275
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	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	4
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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