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

Formula:C21H20N7O3F Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-(4-fluorophenyl)-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-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H20N7O3F
Smiles	Fc(cc1)ccc1Nc1nc(N2CCOCC2)nc(N/N=C\c(cc2)cc3c2OCO3)n1
InChI	InChI=1S/C21H20FN7O3/c22-15-2-4-16(5-3-15)24-19-25-20(27-21(26-19)29-7-9-30-10-8-29)28-23-12-14-1-6-17-18(11-14)32-13-31-17/h1-6,11-12H,7-10,13H2,(H2,24,25,26,27,28)
InChIK	IAYMMXPRFDXMRH-UHFFFAOYSA-N
TotalMolweight	437.434
Molweight	437.434
MonoisotopicMass	437.161166
CLogP	5.6741
CLogS	-6.041
H Acceptors	10
H Donors	2
TotalSurfaceArea	325.19
Relative PSA	0.31025
PolarSurfaceArea	106.02
Druglikeness	2.0091
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53125
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	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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