[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Formula:C25H26N7O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
MolecularFormula	C25H26N7O4Br
Smiles	O=C(c1cccc(Br)c1)Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChI	InChI=1S/C25H26BrN7O4/c26-20-3-1-2-19(16-20)22(34)37-21-6-4-18(5-7-21)17-27-31-23-28-24(32-8-12-35-13-9-32)30-25(29-23)33-10-14-36-15-11-33/h1-7,16-17H,8-15H2,(H,28,29,30,31)
InChIK	MZESITZWPWVNPQ-UHFFFAOYSA-N
TotalMolweight	568.43
Molweight	568.43
MonoisotopicMass	567.122964
CLogP	5.7562
CLogS	-5.845
H Acceptors	11
H Donors	1
TotalSurfaceArea	395.34
Relative PSA	0.26817
PolarSurfaceArea	114.3
Druglikeness	1.2421
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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