4-bromo-5-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

Formula:C18H22N7O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-bromo-5-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is not a drug-like molecule.

MolName	4-bromo-5-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
MolecularFormula	C18H22N7O4Br
Smiles	Oc(cc1/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(O)c1Br
InChI	InChI=1S/C18H22BrN7O4/c19-15-12(9-13(27)10-14(15)28)11-20-24-16-21-17(25-1-5-29-6-2-25)23-18(22-16)26-3-7-30-8-4-26/h9-11,27-28H,1-8H2,(H,21,22,23,24)
InChIK	GRIGZOFURNAVSC-UHFFFAOYSA-N
TotalMolweight	480.322
Molweight	480.322
MonoisotopicMass	479.091664
CLogP	3.6343
CLogS	-3.783
H Acceptors	11
H Donors	3
TotalSurfaceArea	320.53
Relative PSA	0.34062
PolarSurfaceArea	128.46
Druglikeness	1.4751
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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