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

Formula:C21H14N5OFS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide is a drug-like molecule.

MolName	2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
MolecularFormula	C21H14N5OFS
Smiles	O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)Nc1cccc2ccccc12
InChI	InChI=1S/C21H14FN5OS/c22-13-8-9-17-15(10-13)19-20(24-17)25-21(27-26-19)29-11-18(28)23-16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2,(H,23,28)(H,24,25,27)
InChIK	YCDQWQOCZJAJJK-UHFFFAOYSA-N
TotalMolweight	403.44
Molweight	403.44
MonoisotopicMass	403.090308
CLogP	3.9268
CLogS	-6.67
H Acceptors	6
H Donors	2
TotalSurfaceArea	289.48
Relative PSA	0.30707
PolarSurfaceArea	108.86
Druglikeness	0.056859
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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

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