2-[[4-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Formula:C24H17N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[4-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[4-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile
MolecularFormula	C24H17N3O5
Smiles	N#Cc1c(COc2ccc(/C=C(\C(NC(N3Cc4ccco4)=O)=O)/C3=O)cc2)cccc1
InChI	InChI=1S/C24H17N3O5/c25-13-17-4-1-2-5-18(17)15-32-19-9-7-16(8-10-19)12-21-22(28)26-24(30)27(23(21)29)14-20-6-3-11-31-20/h1-12H,14-15H2,(H,26,28,30)
InChIK	LDHAIYJZGTVTNJ-UHFFFAOYSA-N
TotalMolweight	427.415
Molweight	427.415
MonoisotopicMass	427.116822
CLogP	2.4507
CLogS	-5.161
H Acceptors	8
H Donors	1
TotalSurfaceArea	327.92
Relative PSA	0.27995
PolarSurfaceArea	112.64
Druglikeness	1.1012
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[[4-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[4-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile

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