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

Formula:C19H23N7O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.

MolName	2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid
MolecularFormula	C19H23N7O4
Smiles	OC(c1c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cccc1)=O
InChI	InChI=1S/C19H23N7O4/c27-16(28)15-4-2-1-3-14(15)13-20-24-17-21-18(25-5-9-29-10-6-25)23-19(22-17)26-7-11-30-12-8-26/h1-4,13H,5-12H2,(H,27,28)(H,21,22,23,24)
InChIK	DQKHZCFEBUNREM-UHFFFAOYSA-N
TotalMolweight	413.437
Molweight	413.437
MonoisotopicMass	413.181153
CLogP	2.5744
CLogS	-3.554
H Acceptors	11
H Donors	2
TotalSurfaceArea	313.3
Relative PSA	0.34829
PolarSurfaceArea	125.3
Druglikeness	3.0971
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	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid

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