(4E)-1,1-bis(benzylsulfanyl)-5-(furan-2-yl)penta-1,4-dien-3-one

Formula:C23H20O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (4E)-1,1-bis(benzylsulfanyl)-5-(furan-2-yl)penta-1,4-dien-3-one is not a drug-like molecule.

MolName	(4E)-1,1-bis(benzylsulfanyl)-5-(furan-2-yl)penta-1,4-dien-3-one
MolecularFormula	C23H20O2S2
Smiles	O=C(/C=C/c1ccco1)C=C(SCc1ccccc1)SCc1ccccc1
InChI	InChI=1S/C23H20O2S2/c24-21(13-14-22-12-7-15-25-22)16-23(26-17-19-8-3-1-4-9-19)27-18-20-10-5-2-6-11-20/h1-16H,17-18H2
InChIK	ITRPTKDYYGXXAO-UHFFFAOYSA-N
TotalMolweight	392.542
Molweight	392.542
MonoisotopicMass	392.09047
CLogP	5.8267
CLogS	-6.487
H Acceptors	2
TotalSurfaceArea	313.93
Relative PSA	0.19791
PolarSurfaceArea	80.81
Druglikeness	1.305
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	10
StereoCon

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