2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide

Formula:C27H22N4O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide is not a drug-like molecule.

MolName	2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
MolecularFormula	C27H22N4O5S
Smiles	N#Cc(cc1)ccc1-c1ccc(/C=C(/C(N2CC(Nc(cc3)ccc3N3CCOCC3)=O)=O)\SC2=O)o1
InChI	InChI=1S/C27H22N4O5S/c28-16-18-1-3-19(4-2-18)23-10-9-22(36-23)15-24-26(33)31(27(34)37-24)17-25(32)29-20-5-7-21(8-6-20)30-11-13-35-14-12-30/h1-10,15H,11-14,17H2,(H,29,32)
InChIK	CZOZPTDTUMTKFS-UHFFFAOYSA-N
TotalMolweight	514.561
Molweight	514.561
MonoisotopicMass	514.131091
CLogP	2.9782
CLogS	-6.397
H Acceptors	9
H Donors	1
TotalSurfaceArea	383.49
Relative PSA	0.29424
PolarSurfaceArea	141.18
Druglikeness	1.0834
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.64865
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - 2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide | 2 - 2-[(5Z)-5-[[5-(4-cyanophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide

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