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

Formula:C31H21N3OS2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one is not a drug-like molecule.

MolName	(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
MolecularFormula	C31H21N3OS2
Smiles	O=C(N(C1=S)c2ccccc2)S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C31H21N3OS2/c35-31-33(25-14-8-3-9-15-25)30(36)29(37-31)20-22-16-18-26(19-17-22)34-28(24-12-6-2-7-13-24)21-27(32-34)23-10-4-1-5-11-23/h1-21H
InChIK	CRMZPVMFSKTMTJ-UHFFFAOYSA-N
TotalMolweight	515.66
Molweight	515.66
MonoisotopicMass	515.112602
CLogP	6.1261
CLogS	-8.86
H Acceptors	4
TotalSurfaceArea	389.72
Relative PSA	0.20507
PolarSurfaceArea	95.52
Druglikeness	4.4557
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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