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

Formula:C18H12N5O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,3-benzodioxol-5-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-benzodioxol-5-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
MolecularFormula	C18H12N5O3FS
Smiles	O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C18H12FN5O3S/c19-9-1-3-12-11(5-9)16-17(21-12)22-18(24-23-16)28-7-15(25)20-10-2-4-13-14(6-10)27-8-26-13/h1-6H,7-8H2,(H,20,25)(H,21,22,24)
InChIK	WGTKSMKNHJMDBS-UHFFFAOYSA-N
TotalMolweight	397.389
Molweight	397.389
MonoisotopicMass	397.064488
CLogP	2.8438
CLogS	-5.775
H Acceptors	8
H Donors	2
TotalSurfaceArea	275.14
Relative PSA	0.39576
PolarSurfaceArea	127.32
Druglikeness	-0.017994
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	4
Aromatic Atoms	19
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	4
StereoCon

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

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