(5Z)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one

Formula:C26H30N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
MolecularFormula	C26H30N3OBrS
Smiles	O=C(/C(/S1)=C/c2cccn2-c2cccc(Br)c2)N(C2CCCCC2)/C1=N/C1CCCCC1
InChI	InChI=1S/C26H30BrN3OS/c27-19-9-7-14-22(17-19)29-16-8-15-23(29)18-24-25(31)30(21-12-5-2-6-13-21)26(32-24)28-20-10-3-1-4-11-20/h7-9,14-18,20-21H,1-6,10-13H2
InChIK	APDQMSQFRIZFBE-UHFFFAOYSA-N
TotalMolweight	512.514
Molweight	512.514
MonoisotopicMass	511.129293
CLogP	5.9442
CLogS	-9.162
H Acceptors	4
TotalSurfaceArea	356.17
Relative PSA	0.14729
PolarSurfaceArea	62.9
Druglikeness	-4.4397
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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