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

Formula:C23H25N7O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[5-[(Z)-[[4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	3-[5-[(Z)-[[4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C23H25N7O5
Smiles	OC(c1cc(-c2ccc(/C=N\Nc3nc(N4COCCC4)nc(N4CCOCC4)n3)o2)ccc1)=O
InChI	InChI=1S/C23H25N7O5/c31-20(32)17-4-1-3-16(13-17)19-6-5-18(35-19)14-24-28-21-25-22(29-8-11-33-12-9-29)27-23(26-21)30-7-2-10-34-15-30/h1,3-6,13-14H,2,7-12,15H2,(H,31,32)(H,25,26,27,28)
InChIK	CZGZALQJKUUDQO-UHFFFAOYSA-N
TotalMolweight	479.496
Molweight	479.496
MonoisotopicMass	479.191718
CLogP	3.9879
CLogS	-5.813
H Acceptors	12
H Donors	2
TotalSurfaceArea	362.75
Relative PSA	0.33971
PolarSurfaceArea	138.44
Druglikeness	5.0355
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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

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