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

Formula:C20H18N6O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C20H18N6O2S2
Smiles	NC(c1c(NC(CSc2nnc(c(cccc3)c3[nH]3)c3n2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C20H18N6O2S2/c21-17(28)15-11-6-2-4-8-13(11)30-19(15)23-14(27)9-29-20-24-18-16(25-26-20)10-5-1-3-7-12(10)22-18/h1,3,5,7H,2,4,6,8-9H2,(H2,21,28)(H,23,27)(H,22,24,26)
InChIK	YOHDTJZMLFCWHK-UHFFFAOYSA-N
TotalMolweight	438.535
Molweight	438.535
MonoisotopicMass	438.093264
CLogP	2.9319
CLogS	-6.091
H Acceptors	8
H Donors	3
TotalSurfaceArea	312.28
Relative PSA	0.4405
PolarSurfaceArea	180.19
Druglikeness	-0.67906
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
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-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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