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

Formula:C23H16N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(Z)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[3-[(Z)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
MolecularFormula	C23H16N3O3FS
Smiles	C#CCN(C(/C(/S1)=C/c2cn(CC(Nc(cc3)ccc3F)=O)c3c2cccc3)=O)C1=O
InChI	InChI=1S/C23H16FN3O3S/c1-2-11-27-22(29)20(31-23(27)30)12-15-13-26(19-6-4-3-5-18(15)19)14-21(28)25-17-9-7-16(24)8-10-17/h1,3-10,12-13H,11,14H2,(H,25,28)
InChIK	ZBGMRJIKGVTGBZ-UHFFFAOYSA-N
TotalMolweight	433.462
Molweight	433.462
MonoisotopicMass	433.08964
CLogP	2.6846
CLogS	-4.892
H Acceptors	6
H Donors	1
TotalSurfaceArea	318.21
Relative PSA	0.24666
PolarSurfaceArea	96.71
Druglikeness	4.0226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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