[3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Formula:C25H23N7O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none [3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C25H23N7O4
Smiles	O=C(c1ccco1)Oc1cc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)ccc1
InChI	InChI=1S/C25H23N7O4/c33-22(21-10-5-13-35-21)36-20-9-4-6-18(16-20)17-26-31-24-28-23(27-19-7-2-1-3-8-19)29-25(30-24)32-11-14-34-15-12-32/h1-10,13,16-17H,11-12,14-15H2,(H2,27,28,29,30,31)
InChIK	GJSQVQUKCXYAMW-UHFFFAOYSA-N
TotalMolweight	485.503
Molweight	485.503
MonoisotopicMass	485.181153
CLogP	6.0811
CLogS	-6.168
H Acceptors	11
H Donors	2
TotalSurfaceArea	375.78
Relative PSA	0.31412
PolarSurfaceArea	127
Druglikeness	3.3893
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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