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

Formula:C26H24N4O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-2-(1-adamantyl)-5-imino-6-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-2-(1-adamantyl)-5-imino-6-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H24N4O2S2
Smiles	N=C(/C1=C\c(o2)ccc2Sc2ccccc2)N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=NC1=O
InChI	InChI=1S/C26H24N4O2S2/c27-22-20(11-18-6-7-21(32-18)33-19-4-2-1-3-5-19)23(31)28-25-30(22)29-24(34-25)26-12-15-8-16(13-26)10-17(9-15)14-26/h1-7,11,15-17,27H,8-10,12-14H2
InChIK	KHEBUTCGJYXSMV-UHFFFAOYSA-N
TotalMolweight	488.635
Molweight	488.635
MonoisotopicMass	488.134066
CLogP	3.5645
CLogS	-5.222
H Acceptors	6
H Donors	1
TotalSurfaceArea	339.67
Relative PSA	0.30706
PolarSurfaceArea	132.62
Druglikeness	5.9983
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	7
Small Rings	8
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	12
Symmetricatoms	8
BasicNitrogens	1
StereoCon

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

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