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

Formula:C19H14N5O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
MolecularFormula	C19H14N5O3FS
Smiles	O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)Nc(cc1)cc2c1OCCO2
InChI	InChI=1S/C19H14FN5O3S/c20-10-1-3-13-12(7-10)17-18(22-13)23-19(25-24-17)29-9-16(26)21-11-2-4-14-15(8-11)28-6-5-27-14/h1-4,7-8H,5-6,9H2,(H,21,26)(H,22,23,25)
InChIK	SJDGILGAXASGRZ-UHFFFAOYSA-N
TotalMolweight	411.416
Molweight	411.416
MonoisotopicMass	411.080138
CLogP	2.7112
CLogS	-5.246
H Acceptors	8
H Donors	2
TotalSurfaceArea	288.9
Relative PSA	0.37691
PolarSurfaceArea	127.32
Druglikeness	-7.0787
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	4
StereoCon

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

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