1-morpholin-4-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one

Formula:C16H17N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-morpholin-4-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one is a drug-like molecule.

MolName	1-morpholin-4-yl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propan-1-one
MolecularFormula	C16H17N5O2S
Smiles	O=C(CCSc1nnc(c(cccc2)c2[nH]2)c2n1)N1CCOCC1
InChI	InChI=1S/C16H17N5O2S/c22-13(21-6-8-23-9-7-21)5-10-24-16-18-15-14(19-20-16)11-3-1-2-4-12(11)17-15/h1-4H,5-10H2,(H,17,18,20)
InChIK	YXGJFQJLAJXHRZ-UHFFFAOYSA-N
TotalMolweight	343.41
Molweight	343.41
MonoisotopicMass	343.110295
CLogP	1.6128
CLogS	-3.218
H Acceptors	7
H Donors	1
TotalSurfaceArea	252.91
Relative PSA	0.35973
PolarSurfaceArea	109.3
Druglikeness	3.143
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	13
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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