2-[(5Z)-5-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C25H22N4O6S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is not a drug-like molecule.

MolName	2-[(5Z)-5-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C25H22N4O6S3
Smiles	OC(CN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)C1=S)=O
InChI	InChI=1S/C25H22N4O6S3/c30-22(31)16-28-24(32)21(37-25(28)36)14-18-15-29(19-4-2-1-3-5-19)26-23(18)17-6-8-20(9-7-17)38(33,34)27-10-12-35-13-11-27/h1-9,14-15H,10-13,16H2,(H,30,31)
InChIK	BCDLFRIOCGREND-UHFFFAOYSA-N
TotalMolweight	570.67
Molweight	570.67
MonoisotopicMass	570.070146
CLogP	0.4889
CLogS	-3.632
H Acceptors	10
H Donors	1
TotalSurfaceArea	398.48
Relative PSA	0.37189
PolarSurfaceArea	187.81
Druglikeness	1.2734
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	7
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(5Z)-5-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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