N-(1,3-benzothiazol-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Formula:C18H11N6OFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,3-benzothiazol-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-(1,3-benzothiazol-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
MolecularFormula	C18H11N6OFS2
Smiles	O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)Nc1nc(cccc2)c2s1
InChI	InChI=1S/C18H11FN6OS2/c19-9-5-6-11-10(7-9)15-16(20-11)23-18(25-24-15)27-8-14(26)22-17-21-12-3-1-2-4-13(12)28-17/h1-7H,8H2,(H,20,23,25)(H,21,22,26)
InChIK	AQMRJBRXIWILMX-UHFFFAOYSA-N
TotalMolweight	410.456
Molweight	410.456
MonoisotopicMass	410.041977
CLogP	3.5348
CLogS	-6.031
H Acceptors	7
H Donors	2
TotalSurfaceArea	284.18
Relative PSA	0.42304
PolarSurfaceArea	149.99
Druglikeness	0.22745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	22
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	5
StereoCon

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1 - N-(1,3-benzothiazol-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide | 2 - N-(1,3-benzothiazol-2-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

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