4-amino-2-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazino[3,2-b]quinazoline-3,10-dione

Formula:C16H11N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-amino-2-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazino[3,2-b]quinazoline-3,10-dione is a drug-like molecule.

MolName	4-amino-2-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazino[3,2-b]quinazoline-3,10-dione
MolecularFormula	C16H11N5O2S
Smiles	NN(C(C(/C=C/c1cccs1)=NN12)=O)C1=Nc(cccc1)c1C2=O
InChI	InChI=1S/C16H11N5O2S/c17-20-15(23)13(8-7-10-4-3-9-24-10)19-21-14(22)11-5-1-2-6-12(11)18-16(20)21/h1-9H,17H2
InChIK	HHHVPFHBYADBNJ-UHFFFAOYSA-N
TotalMolweight	337.362
Molweight	337.362
MonoisotopicMass	337.063345
CLogP	0.7458
CLogS	-4.009
H Acceptors	7
H Donors	1
TotalSurfaceArea	239.02
Relative PSA	0.38419
PolarSurfaceArea	119.6
Druglikeness	4.7695
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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1 - 4-amino-2-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazino[3,2-b]quinazoline-3,10-dione | 2 - 4-amino-2-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazino[3,2-b]quinazoline-3,10-dione

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