(2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

Formula:C26H21N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is a drug-like molecule.

MolName	(2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
MolecularFormula	C26H21N3O5S
Smiles	N#C/C(/C(N1CCOCC1)=O)=C1/SC=C(c2ccc(-c(cc(cc3)O)c3O)o2)N1c1ccccc1
InChI	InChI=1S/C26H21N3O5S/c27-15-20(25(32)28-10-12-33-13-11-28)26-29(17-4-2-1-3-5-17)21(16-35-26)24-9-8-23(34-24)19-14-18(30)6-7-22(19)31/h1-9,14,16,30-31H,10-13H2
InChIK	PRSZTBVROKZAGN-UHFFFAOYSA-N
TotalMolweight	487.535
Molweight	487.535
MonoisotopicMass	487.120192
CLogP	4.012
CLogS	-5.051
H Acceptors	8
H Donors	2
TotalSurfaceArea	358.39
Relative PSA	0.28321
PolarSurfaceArea	135.47
Druglikeness	0.74541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Amides	1
StereoCon

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1 - (2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile | 2 - (2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

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