4-(furan-2-ylmethyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Formula:C17H13N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-(furan-2-ylmethyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	4-(furan-2-ylmethyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
MolecularFormula	C17H13N3O5S
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1Cc3ccco3)=NNC1=O)=CC2=O
InChI	InChI=1S/C17H13N3O5S/c21-11-3-4-13-10(6-15(22)25-14(13)7-11)9-26-17-19-18-16(23)20(17)8-12-2-1-5-24-12/h1-7,21H,8-9H2,(H,18,23)
InChIK	QXVSVNILKFUYOQ-UHFFFAOYSA-N
TotalMolweight	371.372
Molweight	371.372
MonoisotopicMass	371.057592
CLogP	1.6102
CLogS	-4.104
H Acceptors	8
H Donors	2
TotalSurfaceArea	262.01
Relative PSA	0.40953
PolarSurfaceArea	129.67
Druglikeness	2.5844
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
StereoCon

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1 - 4-(furan-2-ylmethyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one | 2 - 4-(furan-2-ylmethyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

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