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

Formula:C21H26N7F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-di(piperidin-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-di(piperidin-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C21H26N7F3
Smiles	FC(c1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)(F)F
InChI	InChI=1S/C21H26F3N7/c22-21(23,24)17-9-7-16(8-10-17)15-25-29-18-26-19(30-11-3-1-4-12-30)28-20(27-18)31-13-5-2-6-14-31/h7-10,15H,1-6,11-14H2,(H,26,27,28,29)
InChIK	XOHAJDMDHIBEGQ-UHFFFAOYSA-N
TotalMolweight	433.48
Molweight	433.48
MonoisotopicMass	433.220177
CLogP	6.7768
CLogS	-6.097
H Acceptors	7
H Donors	1
TotalSurfaceArea	326.18
Relative PSA	0.19308
PolarSurfaceArea	69.54
Druglikeness	-4.318
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	14
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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