6-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C27H23N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.

MolName	6-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C27H23N3O4S2
Smiles	OC(CCCCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)=O)C1=S)=O
InChI	InChI=1S/C27H23N3O4S2/c31-24(32)13-5-2-8-14-29-26(33)23(36-27(29)35)16-19-17-30(20-10-3-1-4-11-20)28-25(19)22-15-18-9-6-7-12-21(18)34-22/h1,3-4,6-7,9-12,15-17H,2,5,8,13-14H2,(H,31,32)
InChIK	KKZYACMENGQCRF-UHFFFAOYSA-N
TotalMolweight	517.629
Molweight	517.629
MonoisotopicMass	517.112997
CLogP	3.8063
CLogS	-6.357
H Acceptors	7
H Donors	1
TotalSurfaceArea	387.39
Relative PSA	0.3102
PolarSurfaceArea	145.96
Druglikeness	-3.6143
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 6-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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