2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-(3-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C21H20N7O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-(3-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-(3-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H20N7O3Cl
Smiles	Clc1cc(Nc2nc(N3CCOCC3)nc(N/N=C\c(cc3)cc4c3OCO4)n2)ccc1
InChI	InChI=1S/C21H20ClN7O3/c22-15-2-1-3-16(11-15)24-19-25-20(27-21(26-19)29-6-8-30-9-7-29)28-23-12-14-4-5-17-18(10-14)32-13-31-17/h1-5,10-12H,6-9,13H2,(H2,24,25,26,27,28)
InChIK	RLTHYXXSYSKHSJ-UHFFFAOYSA-N
TotalMolweight	453.889
Molweight	453.889
MonoisotopicMass	453.131615
CLogP	6.1793
CLogS	-6.463
H Acceptors	10
H Donors	2
TotalSurfaceArea	334.26
Relative PSA	0.30183
PolarSurfaceArea	106.02
Druglikeness	3.3699
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-(3-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-(3-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

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