N-(2-cyanophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide

Formula:C18H12N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-cyanophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.

MolName	N-(2-cyanophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
MolecularFormula	C18H12N6OS
Smiles	N#Cc(cccc1)c1NC(CSc1nnc(c(cccc2)c2[nH]2)c2n1)=O
InChI	InChI=1S/C18H12N6OS/c19-9-11-5-1-3-7-13(11)20-15(25)10-26-18-22-17-16(23-24-18)12-6-2-4-8-14(12)21-17/h1-8H,10H2,(H,20,25)(H,21,22,24)
InChIK	ZNMATKOVADNDDE-UHFFFAOYSA-N
TotalMolweight	360.4
Molweight	360.4
MonoisotopicMass	360.079329
CLogP	2.4672
CLogS	-5.523
H Acceptors	7
H Donors	2
TotalSurfaceArea	270.24
Relative PSA	0.37911
PolarSurfaceArea	132.65
Druglikeness	-2.8831
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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