(6Z)-2-(1-adamantyl)-6-(furan-2-ylmethylidene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C20H20N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none (6Z)-2-(1-adamantyl)-6-(furan-2-ylmethylidene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-(1-adamantyl)-6-(furan-2-ylmethylidene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H20N4O2S
Smiles	N=C(/C1=C/c2ccco2)N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=NC1=O
InChI	InChI=1S/C20H20N4O2S/c21-16-15(7-14-2-1-3-26-14)17(25)22-19-24(16)23-18(27-19)20-8-11-4-12(9-20)6-13(5-11)10-20/h1-3,7,11-13,21H,4-6,8-10H2
InChIK	ABDGPYIQRSDXEF-UHFFFAOYSA-N
TotalMolweight	380.471
Molweight	380.471
MonoisotopicMass	380.130696
CLogP	1.646
CLogS	-3.673
H Acceptors	6
H Donors	1
TotalSurfaceArea	262.42
Relative PSA	0.33081
PolarSurfaceArea	107.32
Druglikeness	4.9203
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
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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