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

Formula:C18H13N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
MolecularFormula	C18H13N3O3S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1nnc(-c2ccccc2)s1
InChI	InChI=1S/C18H13N3O3S/c22-16(9-7-12-6-8-14-15(10-12)24-11-23-14)19-18-21-20-17(25-18)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22)
InChIK	GHHJVNVSYJAQPT-UHFFFAOYSA-N
TotalMolweight	351.385
Molweight	351.385
MonoisotopicMass	351.067762
CLogP	3.9157
CLogS	-4.713
H Acceptors	6
H Donors	1
TotalSurfaceArea	262.21
Relative PSA	0.33103
PolarSurfaceArea	101.58
Druglikeness	2.4025
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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