3-[[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Formula:C30H34N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	3-[[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C30H34N2O4S
Smiles	OC(c1cccc(COc2ccc(/C=C(/C(N3C4CCCCC4)=O)\S/C3=N\C3CCCCC3)cc2)c1)=O
InChI	InChI=1S/C30H34N2O4S/c33-28-27(37-30(31-24-10-3-1-4-11-24)32(28)25-12-5-2-6-13-25)19-21-14-16-26(17-15-21)36-20-22-8-7-9-23(18-22)29(34)35/h7-9,14-19,24-25H,1-6,10-13,20H2,(H,34,35)
InChIK	YSEPMPPCEHNBDH-UHFFFAOYSA-N
TotalMolweight	518.676
Molweight	518.676
MonoisotopicMass	518.223928
CLogP	5.8133
CLogS	-7.345
H Acceptors	6
H Donors	1
TotalSurfaceArea	396.2
Relative PSA	0.20628
PolarSurfaceArea	104.5
Druglikeness	-3.087
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	16
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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1 - 3-[[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid | 2 - 3-[[4-[(Z)-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

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