(E)-2-(thiophene-2-carbonyl)-3-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enenitrile

Formula:C21H13N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-(thiophene-2-carbonyl)-3-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(thiophene-2-carbonyl)-3-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C21H13N3O3S2
Smiles	N#C/C(/C(c1cccs1)=O)=C\c(cc1)ccc1OCc1nc(-c2cscc2)no1
InChI	InChI=1S/C21H13N3O3S2/c22-11-16(20(25)18-2-1-8-29-18)10-14-3-5-17(6-4-14)26-12-19-23-21(24-27-19)15-7-9-28-13-15/h1-10,13H,12H2
InChIK	TVXWCBRREHHYGO-UHFFFAOYSA-N
TotalMolweight	419.484
Molweight	419.484
MonoisotopicMass	419.039832
CLogP	3.974
CLogS	-6.266
H Acceptors	6
TotalSurfaceArea	319.56
Relative PSA	0.35477
PolarSurfaceArea	145.49
Druglikeness	-0.13824
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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