(4E)-1,1-bis(benzylsulfanyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one

Formula:C25H22O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-1,1-bis(benzylsulfanyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one is not a drug-like molecule.

MolName	(4E)-1,1-bis(benzylsulfanyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
MolecularFormula	C25H22O2S2
Smiles	Oc1cccc(/C=C/C(C=C(SCc2ccccc2)SCc2ccccc2)=O)c1
InChI	InChI=1S/C25H22O2S2/c26-23-13-7-12-20(16-23)14-15-24(27)17-25(28-18-21-8-3-1-4-9-21)29-19-22-10-5-2-6-11-22/h1-17,26H,18-19H2
InChIK	RYLTUIXJPMXPPZ-UHFFFAOYSA-N
TotalMolweight	418.58
Molweight	418.58
MonoisotopicMass	418.10612
CLogP	6.2923
CLogS	-6.509
H Acceptors	2
H Donors	1
TotalSurfaceArea	330.59
Relative PSA	0.18488
PolarSurfaceArea	87.9
Druglikeness	1.218
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	10
StereoCon

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