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

Formula:C26H24N4O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-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-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
MolecularFormula	C26H24N4O5S
Smiles	Oc(cc1)ccc1-n1c(/C=C(/C(N2CC(Nc(cc3)ccc3N3CCOCC3)=O)=O)\SC2=O)ccc1
InChI	InChI=1S/C26H24N4O5S/c31-22-9-7-20(8-10-22)29-11-1-2-21(29)16-23-25(33)30(26(34)36-23)17-24(32)27-18-3-5-19(6-4-18)28-12-14-35-15-13-28/h1-11,16,31H,12-15,17H2,(H,27,32)
InChIK	FSRXBBDITRNKTM-UHFFFAOYSA-N
TotalMolweight	504.566
Molweight	504.566
MonoisotopicMass	504.146741
CLogP	2.0969
CLogS	-6.205
H Acceptors	9
H Donors	2
TotalSurfaceArea	367.64
Relative PSA	0.28599
PolarSurfaceArea	129.41
Druglikeness	4.8036
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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

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