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

Formula:C26H25N7O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [3-[(Z)-[(4-anilino-6-piperidin-1-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-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C26H25N7O3
Smiles	O=C(c1ccco1)Oc1cc(/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)ccc1
InChI	InChI=1S/C26H25N7O3/c34-23(22-13-8-16-35-22)36-21-12-7-9-19(17-21)18-27-32-25-29-24(28-20-10-3-1-4-11-20)30-26(31-25)33-14-5-2-6-15-33/h1,3-4,7-13,16-18H,2,5-6,14-15H2,(H2,28,29,30,31,32)
InChIK	BPSWHJXYVTYCME-UHFFFAOYSA-N
TotalMolweight	483.531
Molweight	483.531
MonoisotopicMass	483.201888
CLogP	7.2451
CLogS	-7.057
H Acceptors	10
H Donors	2
TotalSurfaceArea	379.54
Relative PSA	0.28466
PolarSurfaceArea	117.77
Druglikeness	2.4502
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	10
Electronegative Atoms	10
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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