2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C21H19N7O3Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H19N7O3Br2
Smiles	Brc1cccc(Nc2nc(N/N=C\c(cc3OCOc3c3)c3Br)nc(N3CCOCC3)n2)c1
InChI	InChI=1S/C21H19Br2N7O3/c22-14-2-1-3-15(9-14)25-19-26-20(28-21(27-19)30-4-6-31-7-5-30)29-24-11-13-8-17-18(10-16(13)23)33-12-32-17/h1-3,8-11H,4-7,12H2,(H2,25,26,27,28,29)
InChIK	OBBISRSBFMQYSO-UHFFFAOYSA-N
TotalMolweight	577.236
Molweight	577.236
MonoisotopicMass	574.99161
CLogP	7.0237
CLogS	-7.395
H Acceptors	10
H Donors	2
TotalSurfaceArea	356.1
Relative PSA	0.28332
PolarSurfaceArea	106.02
Druglikeness	1.5591
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
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)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

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