2-[[2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C20H17N6O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C20H17N6O2FS2
Smiles	NC(c1c(NC(CSc2nnc(c(cc(cc3)F)c3[nH]3)c3n2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C20H17FN6O2S2/c21-9-5-6-12-11(7-9)16-18(23-12)25-20(27-26-16)30-8-14(28)24-19-15(17(22)29)10-3-1-2-4-13(10)31-19/h5-7H,1-4,8H2,(H2,22,29)(H,24,28)(H,23,25,27)
InChIK	UEGWCGLCQCVBEU-UHFFFAOYSA-N
TotalMolweight	456.525
Molweight	456.525
MonoisotopicMass	456.083842
CLogP	3.0327
CLogS	-6.405
H Acceptors	8
H Donors	3
TotalSurfaceArea	318.63
Relative PSA	0.43172
PolarSurfaceArea	180.19
Druglikeness	-2.0191
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	6
Amides	2
Aromatic Nitrogens	4
StereoCon

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1 - 2-[[2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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