(Z)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1-phenylprop-2-en-1-one

Formula:C30H24N2O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C30H24N2O5S2
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C/c1ccc(-c(cc2)ccc2S(N2CCOCC2)(=O)=O)o1)c1ccccc1
InChI	InChI=1S/C30H24N2O5S2/c33-29(22-6-2-1-3-7-22)25(30-31-26-8-4-5-9-28(26)38-30)20-23-12-15-27(37-23)21-10-13-24(14-11-21)39(34,35)32-16-18-36-19-17-32/h1-15,20H,16-19H2
InChIK	IOFAXQNATJLMFW-UHFFFAOYSA-N
TotalMolweight	556.662
Molweight	556.662
MonoisotopicMass	556.112663
CLogP	4.6295
CLogS	-5.727
H Acceptors	7
TotalSurfaceArea	404.41
Relative PSA	0.24878
PolarSurfaceArea	126.33
Druglikeness	5.7018
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	6
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon

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