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

Formula:C20H19N7OCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:low 2-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H19N7OCl2
Smiles	Clc1cccc(Cl)c1/C=N\Nc1nc(N2CCOCC2)nc(Nc2ccccc2)n1
InChI	InChI=1S/C20H19Cl2N7O/c21-16-7-4-8-17(22)15(16)13-23-28-19-25-18(24-14-5-2-1-3-6-14)26-20(27-19)29-9-11-30-12-10-29/h1-8,13H,9-12H2,(H2,24,25,26,27,28)
InChIK	ZVGHVRWXKVLOGS-UHFFFAOYSA-N
TotalMolweight	444.325
Molweight	444.325
MonoisotopicMass	443.102812
CLogP	6.6739
CLogS	-6.488
H Acceptors	8
H Donors	2
TotalSurfaceArea	329.42
Relative PSA	0.24555
PolarSurfaceArea	87.56
Druglikeness	3.4415
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	7
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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