(6E)-2-(1-adamantyl)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C20H19N4O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-2-(1-adamantyl)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-2-(1-adamantyl)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H19N4O2BrS
Smiles	N=C(/C1=C\c(o2)ccc2Br)N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=NC1=O
InChI	InChI=1S/C20H19BrN4O2S/c21-15-2-1-13(27-15)6-14-16(22)25-19(23-17(14)26)28-18(24-25)20-7-10-3-11(8-20)5-12(4-10)9-20/h1-2,6,10-12,22H,3-5,7-9H2
InChIK	AEGFMMXHZWIWST-UHFFFAOYSA-N
TotalMolweight	459.367
Molweight	459.367
MonoisotopicMass	458.041207
CLogP	2.4686
CLogS	-4.27
H Acceptors	6
H Donors	1
TotalSurfaceArea	281.05
Relative PSA	0.30888
PolarSurfaceArea	107.32
Druglikeness	2.6983
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	6
Small Rings	7
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	11
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - (6E)-2-(1-adamantyl)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-2-(1-adamantyl)-6-[(5-bromofuran-2-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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