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

Formula:C21H17N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-(2,3-dihydro-1H-inden-2-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-1H-inden-2-yl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
MolecularFormula	C21H17N3O4S
Smiles	Oc(cc1)cc(O2)c1C(CSC(N1C(C3)Cc4c3cccc4)=NNC1=O)=CC2=O
InChI	InChI=1S/C21H17N3O4S/c25-16-5-6-17-14(9-19(26)28-18(17)10-16)11-29-21-23-22-20(27)24(21)15-7-12-3-1-2-4-13(12)8-15/h1-6,9-10,15,25H,7-8,11H2,(H,22,27)
InChIK	GFFMZZDAEHTERW-UHFFFAOYSA-N
TotalMolweight	407.449
Molweight	407.449
MonoisotopicMass	407.093977
CLogP	2.9815
CLogS	-4.961
H Acceptors	7
H Donors	2
TotalSurfaceArea	285.08
Relative PSA	0.32689
PolarSurfaceArea	116.53
Druglikeness	2.3126
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
StereoCon

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

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