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

Formula:C25H25N7O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C25H25N7O4Cl2
Smiles	O=C(c(ccc(Cl)c1)c1Cl)Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChI	InChI=1S/C25H25Cl2N7O4/c26-18-3-6-20(21(27)15-18)22(35)38-19-4-1-17(2-5-19)16-28-32-23-29-24(33-7-11-36-12-8-33)31-25(30-23)34-9-13-37-14-10-34/h1-6,15-16H,7-14H2,(H,29,30,31,32)
InChIK	LAOGXWBFNHQKTR-UHFFFAOYSA-N
TotalMolweight	558.425
Molweight	558.425
MonoisotopicMass	557.134507
CLogP	6.243
CLogS	-6.483
H Acceptors	11
H Donors	1
TotalSurfaceArea	407.55
Relative PSA	0.26014
PolarSurfaceArea	114.3
Druglikeness	3.0759
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	13
Electronegative Atoms	13
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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1 - [4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

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