N-(4-fluorophenyl)-2-[3-[(E)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide

Formula:C27H19N4O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-fluorophenyl)-2-[3-[(E)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide is not a drug-like molecule.

MolName	N-(4-fluorophenyl)-2-[3-[(E)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
MolecularFormula	C27H19N4O5FS
Smiles	[O-][N+](c1c(CN(C(/C(/S2)=C\c3cn(CC(Nc(cc4)ccc4F)=O)c4c3cccc4)=O)C2=O)cccc1)=O
InChI	InChI=1S/C27H19FN4O5S/c28-19-9-11-20(12-10-19)29-25(33)16-30-14-18(21-6-2-4-8-23(21)30)13-24-26(34)31(27(35)38-24)15-17-5-1-3-7-22(17)32(36)37/h1-14H,15-16H2,(H,29,33)
InChIK	UHEJJUUIQFFPEQ-UHFFFAOYSA-N
TotalMolweight	530.535
Molweight	530.535
MonoisotopicMass	530.106019
CLogP	3.1539
CLogS	-6.051
H Acceptors	9
H Donors	1
TotalSurfaceArea	377.83
Relative PSA	0.28825
PolarSurfaceArea	142.53
Druglikeness	-1.0663
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-(4-fluorophenyl)-2-[3-[(E)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[3-[(E)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide

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