4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Formula:C20H15N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
MolecularFormula	C20H15N3O6S
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1c(cc3)cc4c3OCCO4)=NNC1=O)=CC2=O
InChI	InChI=1S/C20H15N3O6S/c24-13-2-3-14-11(7-18(25)29-16(14)9-13)10-30-20-22-21-19(26)23(20)12-1-4-15-17(8-12)28-6-5-27-15/h1-4,7-9,24H,5-6,10H2,(H,21,26)
InChIK	GDRZURKHPPEYDJ-UHFFFAOYSA-N
TotalMolweight	425.42
Molweight	425.42
MonoisotopicMass	425.068157
CLogP	2.4774
CLogS	-5.126
H Acceptors	9
H Donors	2
TotalSurfaceArea	292.58
Relative PSA	0.38687
PolarSurfaceArea	134.99
Druglikeness	-5.2199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Amides	1
StereoCon

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1 - 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one | 2 - 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

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