5-amino-6-[(E)-indol-3-ylidenemethyl]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C18H11N5OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-6-[(E)-indol-3-ylidenemethyl]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-6-[(E)-indol-3-ylidenemethyl]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C18H11N5OS2
Smiles	NC(N1N=C(c2cccs2)SC1=N1)=C(/C=C2\c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C18H11N5OS2/c19-15-12(8-10-9-20-13-5-2-1-4-11(10)13)16(24)21-18-23(15)22-17(26-18)14-6-3-7-25-14/h1-9H,19H2
InChIK	YYPGQPAOMJIMIZ-UHFFFAOYSA-N
TotalMolweight	377.451
Molweight	377.451
MonoisotopicMass	377.0405
CLogP	2.963
CLogS	-6.241
H Acceptors	6
H Donors	1
TotalSurfaceArea	260.85
Relative PSA	0.39962
PolarSurfaceArea	136.95
Druglikeness	5.9437
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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