6-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4a,9a-dihydroanthracene-9,10-dione

Formula:C22H13NO4S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4a,9a-dihydroanthracene-9,10-dione is a drug-like molecule.

MolName	6-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4a,9a-dihydroanthracene-9,10-dione
MolecularFormula	C22H13NO4S2
Smiles	O=C(/C(/S1)=C/c2ccc(-c(cc3)cc(C(C4C=CC=CC44)=O)c3C4=O)o2)NC1=S
InChI	InChI=1S/C22H13NO4S2/c24-19-13-3-1-2-4-14(13)20(25)16-9-11(5-7-15(16)19)17-8-6-12(27-17)10-18-21(26)23-22(28)29-18/h1-10,13-14H,(H,23,26,28)
InChIK	XDUMZTKWYCOVLG-UHFFFAOYSA-N
TotalMolweight	419.48
Molweight	419.48
MonoisotopicMass	419.028599
CLogP	2.5169
CLogS	-6.904
H Acceptors	5
H Donors	1
TotalSurfaceArea	299.83
Relative PSA	0.36747
PolarSurfaceArea	133.77
Druglikeness	4.2533
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
StereoCon	unknown chirality

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1 - 6-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4a,9a-dihydroanthracene-9,10-dione | 2 - 6-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-4a,9a-dihydroanthracene-9,10-dione

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