4-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Formula:C29H23N3O3S2 Mutagenic:high Tumorigenic:low Reproductive Effective:none 4-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is not a drug-like molecule.

MolName	4-[(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
MolecularFormula	C29H23N3O3S2
Smiles	OC(CCCN(C(/C(/S1)=C/c(cc2)ccc2-n(c(-c2ccccc2)c2)nc2-c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C29H23N3O3S2/c33-27(34)12-7-17-31-28(35)26(37-29(31)36)18-20-13-15-23(16-14-20)32-25(22-10-5-2-6-11-22)19-24(30-32)21-8-3-1-4-9-21/h1-6,8-11,13-16,18-19H,7,12,17H2,(H,33,34)
InChIK	KGRPZXUTRKPDTB-UHFFFAOYSA-N
TotalMolweight	525.652
Molweight	525.652
MonoisotopicMass	525.118082
CLogP	4.1051
CLogS	-6.744
H Acceptors	6
H Donors	1
TotalSurfaceArea	395.34
Relative PSA	0.26828
PolarSurfaceArea	132.82
Druglikeness	4.9589
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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