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

Formula:C21H13N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzonitrile is a drug-like molecule.

MolName	2-[5-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzonitrile
MolecularFormula	C21H13N3O5
Smiles	N#Cc(cccc1)c1-c1ccc(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)o1
InChI	InChI=1S/C21H13N3O5/c22-11-13-4-1-2-6-16(13)18-8-7-14(29-18)10-17-19(25)23-21(27)24(20(17)26)12-15-5-3-9-28-15/h1-10H,12H2,(H,23,25,27)
InChIK	YODAFPJFGVTCMW-UHFFFAOYSA-N
TotalMolweight	387.35
Molweight	387.35
MonoisotopicMass	387.085522
CLogP	2.0415
CLogS	-5.28
H Acceptors	8
H Donors	1
TotalSurfaceArea	293.85
Relative PSA	0.32639
PolarSurfaceArea	116.55
Druglikeness	1.9778
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Amides	2
StereoCon

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

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