(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C24H24N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C24H24N2O3S
Smiles	O=C(CN(C(/C(/S1)=C/c(cc2)ccc2-c2ccccc2)=O)C1=O)N1CCCCCC1
InChI	InChI=1S/C24H24N2O3S/c27-22(25-14-6-1-2-7-15-25)17-26-23(28)21(30-24(26)29)16-18-10-12-20(13-11-18)19-8-4-3-5-9-19/h3-5,8-13,16H,1-2,6-7,14-15,17H2
InChIK	MNHDVHJIGBDOFP-UHFFFAOYSA-N
TotalMolweight	420.532
Molweight	420.532
MonoisotopicMass	420.150763
CLogP	4.2267
CLogS	-5.504
H Acceptors	5
TotalSurfaceArea	318.39
Relative PSA	0.2001
PolarSurfaceArea	82.99
Druglikeness	0.64841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	2
StereoCon

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