N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C20H32N8 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is a drug-like molecule.

MolName	N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C20H32N8
Smiles	C(CC1)CCN1c1nc(N/N=C2/C(CC3)CCN3C2)nc(N2CCCCC2)n1
InChI	InChI=1S/C20H32N8/c1-3-9-27(10-4-1)19-21-18(22-20(23-19)28-11-5-2-6-12-28)25-24-17-15-26-13-7-16(17)8-14-26/h16H,1-15H2,(H,21,22,23,25)
InChIK	HGWVIKZMKXIVCO-UHFFFAOYSA-N
TotalMolweight	384.53
Molweight	384.53
MonoisotopicMass	384.274992
CLogP	4.7569
CLogS	-4.07
H Acceptors	8
H Donors	1
TotalSurfaceArea	299.77
Relative PSA	0.22194
PolarSurfaceArea	72.78
Druglikeness	4.5958
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	17
Symmetricatoms	12
Amines	1
AlkylAmines	1
Aromatic Nitrogens	3
BasicNitrogens	4
StereoCon

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1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

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