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

Formula:C20H25N7BrF Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C20H25N7BrF
Smiles	Fc(ccc(/C=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1)c1Br
InChI	InChI=1S/C20H25BrFN7/c21-16-13-15(7-8-17(16)22)14-23-27-18-24-19(28-9-3-1-4-10-28)26-20(25-18)29-11-5-2-6-12-29/h7-8,13-14H,1-6,9-12H2,(H,24,25,26,27)
InChIK	ZJUIOEWOCNCCDU-UHFFFAOYSA-N
TotalMolweight	462.37
Molweight	462.37
MonoisotopicMass	461.133882
CLogP	6.7545
CLogS	-6.467
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.7
Relative PSA	0.19577
PolarSurfaceArea	69.54
Druglikeness	-0.25798
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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