4-N-(4-fluorophenyl)-2-N-[(Z)-(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C21H21N7F2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-fluorophenyl)-2-N-[(Z)-(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-fluorophenyl)-2-N-[(Z)-(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H21N7F2
Smiles	Fc(cc1)ccc1Nc1nc(N/N=C\c(cccc2)c2F)nc(N2CCCCC2)n1
InChI	InChI=1S/C21H21F2N7/c22-16-8-10-17(11-9-16)25-19-26-20(28-21(27-19)30-12-4-1-5-13-30)29-24-14-15-6-2-3-7-18(15)23/h2-3,6-11,14H,1,4-5,12-13H2,(H2,25,26,27,28,29)
InChIK	XKVIBBWUMYYFQN-UHFFFAOYSA-N
TotalMolweight	409.443
Molweight	409.443
MonoisotopicMass	409.182649
CLogP	6.8275
CLogS	-6.533
H Acceptors	7
H Donors	2
TotalSurfaceArea	315.04
Relative PSA	0.22502
PolarSurfaceArea	78.33
Druglikeness	1.6278
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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