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

Formula:C22H23N7O3 Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-N-benzyl-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-benzyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C22H23N7O3
Smiles	C(c1ccccc1)Nc1nc(N2CCOCC2)nc(N/N=C\c(cc2)cc3c2OCO3)n1
InChI	InChI=1S/C22H23N7O3/c1-2-4-16(5-3-1)13-23-20-25-21(27-22(26-20)29-8-10-30-11-9-29)28-24-14-17-6-7-18-19(12-17)32-15-31-18/h1-7,12,14H,8-11,13,15H2,(H2,23,25,26,27,28)
InChIK	BCWRDKNVZKODOX-UHFFFAOYSA-N
TotalMolweight	433.471
Molweight	433.471
MonoisotopicMass	433.186238
CLogP	5.108
CLogS	-5.532
H Acceptors	10
H Donors	2
TotalSurfaceArea	332.6
Relative PSA	0.30334
PolarSurfaceArea	106.02
Druglikeness	3.4172
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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