N-cyclohexyl-2-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide

Formula:C18H18N5OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-cyclohexyl-2-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	N-cyclohexyl-2-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
MolecularFormula	C18H18N5OF3S
Smiles	O=C(CSc1nnc(c(c(C(F)(F)F)ccc2)c2[nH]2)c2n1)NC1CCCCC1
InChI	InChI=1S/C18H18F3N5OS/c19-18(20,21)11-7-4-8-12-14(11)15-16(23-12)24-17(26-25-15)28-9-13(27)22-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,22,27)(H,23,24,26)
InChIK	RUKIKAYDSPSFJV-UHFFFAOYSA-N
TotalMolweight	409.435
Molweight	409.435
MonoisotopicMass	409.118414
CLogP	3.3269
CLogS	-5.595
H Acceptors	6
H Donors	2
TotalSurfaceArea	286.03
Relative PSA	0.31077
PolarSurfaceArea	108.86
Druglikeness	-9.548
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	13
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
StereoCon

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