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

Formula:C20H16N5OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone is a drug-like molecule.

MolName	1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
MolecularFormula	C20H16N5OFS
Smiles	O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)N(CCC1)c2c1cccc2
InChI	InChI=1S/C20H16FN5OS/c21-13-7-8-15-14(10-13)18-19(22-15)23-20(25-24-18)28-11-17(27)26-9-3-5-12-4-1-2-6-16(12)26/h1-2,4,6-8,10H,3,5,9,11H2,(H,22,23,25)
InChIK	VVVYHGICYBMXDW-UHFFFAOYSA-N
TotalMolweight	393.445
Molweight	393.445
MonoisotopicMass	393.105958
CLogP	3.4612
CLogS	-5.659
H Acceptors	6
H Donors	1
TotalSurfaceArea	281.5
Relative PSA	0.28767
PolarSurfaceArea	100.07
Druglikeness	1.4548
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
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 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone | 2 - 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone

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