(E)-3-(1,3-benzodioxol-5-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Formula:C19H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
MolecularFormula	C19H15N3O3S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1nnc(Cc2ccccc2)s1
InChI	InChI=1S/C19H15N3O3S/c23-17(9-7-14-6-8-15-16(10-14)25-12-24-15)20-19-22-21-18(26-19)11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,20,22,23)
InChIK	JHBQCEPFMQFXCI-UHFFFAOYSA-N
TotalMolweight	365.412
Molweight	365.412
MonoisotopicMass	365.083412
CLogP	3.9066
CLogS	-5.127
H Acceptors	6
H Donors	1
TotalSurfaceArea	275.97
Relative PSA	0.31453
PolarSurfaceArea	101.58
Druglikeness	2.5617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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