4-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid

Formula:C17H10N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid
MolecularFormula	C17H10N4O3S2
Smiles	N=C(/C1=C/c(cc2)ccc2C(O)=O)N2N=C(c3cccs3)SC2=NC1=O
InChI	InChI=1S/C17H10N4O3S2/c18-13-11(8-9-3-5-10(6-4-9)16(23)24)14(22)19-17-21(13)20-15(26-17)12-2-1-7-25-12/h1-8,18H,(H,23,24)
InChIK	NXPHAWHJEXADKB-UHFFFAOYSA-N
TotalMolweight	382.423
Molweight	382.423
MonoisotopicMass	382.019431
CLogP	2.8777
CLogS	-4.286
H Acceptors	7
H Donors	2
TotalSurfaceArea	262.56
Relative PSA	0.45399
PolarSurfaceArea	159.72
Druglikeness	5.4739
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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