4,6-di(piperidin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3,5-triazin-2-amine

Formula:C18H25N7S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-di(piperidin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-di(piperidin-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C18H25N7S
Smiles	C(CC1)CCN1c1nc(N/N=C\c2cccs2)nc(N2CCCCC2)n1
InChI	InChI=1S/C18H25N7S/c1-3-9-24(10-4-1)17-20-16(23-19-14-15-8-7-13-26-15)21-18(22-17)25-11-5-2-6-12-25/h7-8,13-14H,1-6,9-12H2,(H,20,21,22,23)
InChIK	XXQILZHPMRFVHT-UHFFFAOYSA-N
TotalMolweight	371.511
Molweight	371.511
MonoisotopicMass	371.189213
CLogP	5.7951
CLogS	-5.329
H Acceptors	7
H Donors	1
TotalSurfaceArea	292.66
Relative PSA	0.28477
PolarSurfaceArea	97.78
Druglikeness	4.1126
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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