N-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

Formula:C28H27N2O3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide is not a drug-like molecule.

MolName	N-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide
MolecularFormula	C28H27N2O3FS2
Smiles	O=C(C1(CC(C2)C3)CC3CC2C1)NN(C(/C(/S1)=C/c(cccc2)c2OCc(cc2)ccc2F)=O)C1=S
InChI	InChI=1S/C28H27FN2O3S2/c29-22-7-5-17(6-8-22)16-34-23-4-2-1-3-21(23)12-24-25(32)31(27(35)36-24)30-26(33)28-13-18-9-19(14-28)11-20(10-18)15-28/h1-8,12,18-20H,9-11,13-16H2,(H,30,33)
InChIK	XQMNSZDUQDZORV-UHFFFAOYSA-N
TotalMolweight	522.663
Molweight	522.663
MonoisotopicMass	522.144711
CLogP	3.3734
CLogS	-7.324
H Acceptors	5
H Donors	1
TotalSurfaceArea	371.77
Relative PSA	0.25978
PolarSurfaceArea	116.03
Druglikeness	3.3718
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	8
StereoCon

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1 - N-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide | 2 - N-[(5Z)-5-[[2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

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