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

Formula:C21H20N7Cl2F Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H20N7Cl2F
Smiles	Fc(cc1)ccc1Nc1nc(N/N=C\c2cccc(Cl)c2Cl)nc(N2CCCCC2)n1
InChI	InChI=1S/C21H20Cl2FN7/c22-17-6-4-5-14(18(17)23)13-25-30-20-27-19(26-16-9-7-15(24)8-10-16)28-21(29-20)31-11-2-1-3-12-31/h4-10,13H,1-3,11-12H2,(H2,26,27,28,29,30)
InChIK	RMCHJANYBAFWDH-UHFFFAOYSA-N
TotalMolweight	460.343
Molweight	460.343
MonoisotopicMass	459.114125
CLogP	7.9387
CLogS	-7.691
H Acceptors	7
H Donors	2
TotalSurfaceArea	339.53
Relative PSA	0.20879
PolarSurfaceArea	78.33
Druglikeness	1.6048
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
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	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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